8b512f7f16f70b5785698401d7e88a9a ./README f242fc521862d5fb2db0fe3f3d620824 ./md5sum.txt 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to03_wat/plumed.dat 777cc080ff368c9bb893021efe06debe ./aladip/FES_03to03_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to03_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to03_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to03_wat/gromacs_commands.sh 5412c4d615d4f1d5b127c17d1e6f23bb ./aladip/FES_03to03_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GStoGS_wat/plumed.dat acac5da5c2be2ee1b9c137a7d4cab227 ./aladip/FES_GStoGS_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GStoGS_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GStoGS_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GStoGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GStoGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GStoGS_wat/gromacs_commands.sh c2aedf0bdf18dfb35dff78dbf43e2a00 ./aladip/FES_GStoGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to99_wat/plumed.dat 05627451a237e33db2ef3bc4f4adccbb ./aladip/FES_03to99_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to99_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to99_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to99_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to99_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to99_wat/gromacs_commands.sh 62338c6d34f38fd604bc01cf33d1425f ./aladip/FES_03to99_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to99SB_wat/plumed.dat e720ab47ffa885a606da2491e22fa66f ./aladip/FES_96to99SB_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to99SB_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to99SB_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to99SB_wat/gromacs_commands.sh cb70feac3ca7b28e6a04933ad7e54a9e ./aladip/FES_96to99SB_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBILDNto96_wat/plumed.dat 019b8ab2d9a80819eb7b533e1c88904f ./aladip/FES_99SBILDNto96_wat/HILLS b4b847b6abb7a1146e9aff1136a9d5a0 ./aladip/FES_99SBILDNto96_wat/npt.gro 8c48832d669aa68849c937dfbfd55adb ./aladip/FES_99SBILDNto96_wat/topol.top b903185c936e20f9d8249e08ed0a2d1c ./aladip/FES_99SBILDNto96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBILDNto96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBILDNto96_wat/gromacs_commands.sh 56f1de88a6298cbcdc1b15a149f75a78 ./aladip/FES_99SBILDNto96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBILDNtoGS_wat/plumed.dat 49d310904a71d458547c07e37a6e15d6 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57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94to99_wat/gromacs_commands.sh caea51d4040b89ce39eb461e93dafdfd ./aladip/FES_94to99_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto99SBILDN_wat/plumed.dat b1421beb2c34a35897baa9f5967bc8d0 ./aladip/FES_GSto99SBILDN_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GSto99SBILDN_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GSto99SBILDN_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GSto99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GSto99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GSto99SBILDN_wat/gromacs_commands.sh e0f1bec7363ceef3517486a207dc4224 ./aladip/FES_GSto99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBILDNto99SBILDN_wat/plumed.dat ef2e8451c41488d13b9d71ab4ffdd131 ./aladip/FES_99SBILDNto99SBILDN_wat/HILLS b4b847b6abb7a1146e9aff1136a9d5a0 ./aladip/FES_99SBILDNto99SBILDN_wat/npt.gro 8c48832d669aa68849c937dfbfd55adb ./aladip/FES_99SBILDNto99SBILDN_wat/topol.top b903185c936e20f9d8249e08ed0a2d1c ./aladip/FES_99SBILDNto99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBILDNto99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBILDNto99SBILDN_wat/gromacs_commands.sh 54320075f441a44063610f52600c8733 ./aladip/FES_99SBILDNto99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBto96_wat/plumed.dat b160eb901953eac56715f697cf86f2b7 ./aladip/FES_99SBto96_wat/HILLS 43a8b816228bd54dcd21b8c1a8f22a9f ./aladip/FES_99SBto96_wat/npt.gro bdc4076caad4f1f20fe48e5fe77a0dbd ./aladip/FES_99SBto96_wat/topol.top 403e37454139a2d3d32b0cd864a0a3e8 ./aladip/FES_99SBto96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBto96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBto96_wat/gromacs_commands.sh 56f1de88a6298cbcdc1b15a149f75a78 ./aladip/FES_99SBto96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to94_wat/plumed.dat 28d3ceb6afd1c74040e1a3c80ed098ec ./aladip/FES_03to94_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to94_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to94_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to94_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to94_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to94_wat/gromacs_commands.sh b0279018cfe4211ab1ea7d4557ca8d2f ./aladip/FES_03to94_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99to99SB_wat/plumed.dat 16281c4f56352807cd94f8e7b340f29a ./aladip/FES_99to99SB_wat/HILLS bbe96755f76e26f3b075216ccb61bf63 ./aladip/FES_99to99SB_wat/npt.gro de4c1c14d9de1cfe552fbe9b3e06e7ec ./aladip/FES_99to99SB_wat/topol.top d41d8cd98f00b204e9800998ecf8427e ./aladip/FES_99to99SB_wat/bck.0.HILLS 4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99to99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99to99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d 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4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99toGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99toGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99toGS_wat/gromacs_commands.sh 03362a02c63e15e8b1b82c63be427d3c ./aladip/FES_99toGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to99SB_wat/plumed.dat c3cd4cbfa6f130c91dfb0c889cb6d413 ./aladip/FES_03to99SB_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to99SB_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to99SB_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to99SB_wat/gromacs_commands.sh 4595ba435b84dd886ca673593fe085bd ./aladip/FES_03to99SB_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto94_wat/plumed.dat f56bc95f3c0599af288fbbf2c0b59fb6 ./aladip/FES_GSto94_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 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./aladip/FES_99SBto99SBILDN_wat/gromacs_commands.sh 54320075f441a44063610f52600c8733 ./aladip/FES_99SBto99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to03_wat/plumed.dat af84775f3d23c950f0934e8fc28ecd57 ./aladip/FES_96to03_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to03_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to03_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to03_wat/gromacs_commands.sh 44c670255c16ef2cd22a449e1b5ca7c9 ./aladip/FES_96to03_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto99_wat/plumed.dat 4900159bd06eb1e45bfb9f088294c0db ./aladip/FES_GSto99_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GSto99_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GSto99_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GSto99_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GSto99_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GSto99_wat/gromacs_commands.sh e8d92bb63441423d8d3f33b09a37fee6 ./aladip/FES_GSto99_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to99_wat/plumed.dat 352eee96fff5507a218701a21afa4833 ./aladip/FES_96to99_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to99_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to99_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to99_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to99_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to99_wat/gromacs_commands.sh 000bd2bc71f9efd501a8bb03881230b1 ./aladip/FES_96to99_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBto99_wat/plumed.dat bf8a0e271db5cdd2c04f9ac9314ca73d ./aladip/FES_99SBto99_wat/HILLS 43a8b816228bd54dcd21b8c1a8f22a9f ./aladip/FES_99SBto99_wat/npt.gro bdc4076caad4f1f20fe48e5fe77a0dbd ./aladip/FES_99SBto99_wat/topol.top 403e37454139a2d3d32b0cd864a0a3e8 ./aladip/FES_99SBto99_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBto99_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBto99_wat/gromacs_commands.sh 46f20438f008d4ffcaa793fc40287ca1 ./aladip/FES_99SBto99_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBILDNto99SB_wat/plumed.dat 5654e06605c6276d3870a5332d4321e1 ./aladip/FES_99SBILDNto99SB_wat/HILLS b4b847b6abb7a1146e9aff1136a9d5a0 ./aladip/FES_99SBILDNto99SB_wat/npt.gro 8c48832d669aa68849c937dfbfd55adb ./aladip/FES_99SBILDNto99SB_wat/topol.top b903185c936e20f9d8249e08ed0a2d1c ./aladip/FES_99SBILDNto99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBILDNto99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBILDNto99SB_wat/gromacs_commands.sh 54320075f441a44063610f52600c8733 ./aladip/FES_99SBILDNto99SB_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBtoGS_wat/plumed.dat 2688109c93cff48af2d00789d66b46a9 ./aladip/FES_99SBtoGS_wat/HILLS 43a8b816228bd54dcd21b8c1a8f22a9f ./aladip/FES_99SBtoGS_wat/npt.gro bdc4076caad4f1f20fe48e5fe77a0dbd ./aladip/FES_99SBtoGS_wat/topol.top 403e37454139a2d3d32b0cd864a0a3e8 ./aladip/FES_99SBtoGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBtoGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBtoGS_wat/gromacs_commands.sh 16b0700929466be3b9613f1b90ecc53b ./aladip/FES_99SBtoGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to99SBILDN_wat/plumed.dat c5497f848d26f2e34e9cf916e692339f ./aladip/FES_03to99SBILDN_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to99SBILDN_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to99SBILDN_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to99SBILDN_wat/gromacs_commands.sh 4595ba435b84dd886ca673593fe085bd ./aladip/FES_03to99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBto94_wat/plumed.dat fb7df964acdc2e1a733f3010a42f2317 ./aladip/FES_99SBto94_wat/HILLS 43a8b816228bd54dcd21b8c1a8f22a9f ./aladip/FES_99SBto94_wat/npt.gro bdc4076caad4f1f20fe48e5fe77a0dbd ./aladip/FES_99SBto94_wat/topol.top 403e37454139a2d3d32b0cd864a0a3e8 ./aladip/FES_99SBto94_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBto94_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBto94_wat/gromacs_commands.sh eb8538854ee5c7d95753ae03e00dbf1c ./aladip/FES_99SBto94_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto96_wat/plumed.dat a8f346909069e862a25061b55911ff8c ./aladip/FES_GSto96_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GSto96_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GSto96_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GSto96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GSto96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GSto96_wat/gromacs_commands.sh 9d80340c189f63b3ce5544cce1837f4d ./aladip/FES_GSto96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99to94_wat/plumed.dat 141cef0b89c8bfe95a99368d68ba53cc ./aladip/FES_99to94_wat/HILLS bbe96755f76e26f3b075216ccb61bf63 ./aladip/FES_99to94_wat/npt.gro de4c1c14d9de1cfe552fbe9b3e06e7ec ./aladip/FES_99to94_wat/topol.top 4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99to94_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99to94_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99to94_wat/gromacs_commands.sh a4debadae7f8690fa57e242d246c0d47 ./aladip/FES_99to94_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_03to96_wat/plumed.dat 156574e1ca0de7d801f2b9b4a4f8e09a ./aladip/FES_03to96_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03to96_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03to96_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03to96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03to96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03to96_wat/gromacs_commands.sh 3af4f61ee95903e8856fbad5fed6dfc6 ./aladip/FES_03to96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_94to99SB_wat/plumed.dat 79e0077b69e0215f3169ab34f6276897 ./aladip/FES_94to99SB_wat/HILLS 0ae8f685638fefdcb70440dfd322d8c3 ./aladip/FES_94to99SB_wat/npt.gro 25d4dea356edaf975d2fe11ff088a24d ./aladip/FES_94to99SB_wat/topol.top 552cdcc610c41eb8255d9bace15b33c7 ./aladip/FES_94to99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_94to99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94to99SB_wat/gromacs_commands.sh b47df6f7320e0c25a36c1a517b0414c6 ./aladip/FES_94to99SB_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_94to03_wat/plumed.dat cad7c56fe423f51b7ecda273beed041d ./aladip/FES_94to03_wat/HILLS 0ae8f685638fefdcb70440dfd322d8c3 ./aladip/FES_94to03_wat/npt.gro 25d4dea356edaf975d2fe11ff088a24d ./aladip/FES_94to03_wat/topol.top 552cdcc610c41eb8255d9bace15b33c7 ./aladip/FES_94to03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_94to03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94to03_wat/gromacs_commands.sh 453883f8ae309914a14c671963b1ca1a ./aladip/FES_94to03_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to94_wat/plumed.dat 093310b75a1dffd6926bf9e7986d101a ./aladip/FES_96to94_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to94_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to94_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to94_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to94_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to94_wat/gromacs_commands.sh 18a2e3bbf1534daab26bf38b04a49e32 ./aladip/FES_96to94_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_94to94_wat/plumed.dat c88ce06640afecbaed99238fef3fff6a ./aladip/FES_94to94_wat/HILLS 0ae8f685638fefdcb70440dfd322d8c3 ./aladip/FES_94to94_wat/npt.gro 25d4dea356edaf975d2fe11ff088a24d ./aladip/FES_94to94_wat/topol.top 552cdcc610c41eb8255d9bace15b33c7 ./aladip/FES_94to94_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_94to94_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94to94_wat/gromacs_commands.sh 46e9a5d4a2c0b30ab7b214a65fcfb4ee ./aladip/FES_94to94_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to96_wat/plumed.dat 928b20875559af776dc2c974c7aa89b5 ./aladip/FES_96to96_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to96_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to96_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to96_wat/gromacs_commands.sh 9a8f02be94d4b6eba63539f0803a2e3d ./aladip/FES_96to96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_94to99SBILDN_wat/plumed.dat 51d480fb2cf3d18db1941a3e7e322ba2 ./aladip/FES_94to99SBILDN_wat/HILLS 0ae8f685638fefdcb70440dfd322d8c3 ./aladip/FES_94to99SBILDN_wat/npt.gro 25d4dea356edaf975d2fe11ff088a24d ./aladip/FES_94to99SBILDN_wat/topol.top 552cdcc610c41eb8255d9bace15b33c7 ./aladip/FES_94to99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_94to99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94to99SBILDN_wat/gromacs_commands.sh b47df6f7320e0c25a36c1a517b0414c6 ./aladip/FES_94to99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBto99SB_wat/plumed.dat 1469aaa8cad2a5f4b15c7b05d74ff443 ./aladip/FES_99SBto99SB_wat/HILLS 43a8b816228bd54dcd21b8c1a8f22a9f ./aladip/FES_99SBto99SB_wat/npt.gro bdc4076caad4f1f20fe48e5fe77a0dbd ./aladip/FES_99SBto99SB_wat/topol.top 403e37454139a2d3d32b0cd864a0a3e8 ./aladip/FES_99SBto99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBto99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBto99SB_wat/gromacs_commands.sh 54320075f441a44063610f52600c8733 ./aladip/FES_99SBto99SB_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto99SB_wat/plumed.dat 58d165ebc9e04bf25d55a636b884cf5a ./aladip/FES_GSto99SB_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GSto99SB_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GSto99SB_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GSto99SB_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GSto99SB_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GSto99SB_wat/gromacs_commands.sh e0f1bec7363ceef3517486a207dc4224 ./aladip/FES_GSto99SB_wat/reference.pdb 771b77f10f4adf80be5088c226c05763 ./aladip/diffs.txt 161d328968730fc20ff61147a8f30348 ./aladip/FES_GSto03_wat/plumed.dat 0f4d1c58c5d0905da4aab68faff0ffd1 ./aladip/FES_GSto03_wat/HILLS 22bb4ee8bb0fbe430170645be80302d2 ./aladip/FES_GSto03_wat/npt.gro 7aff7adcc7c53b9bea6be6ed22472658 ./aladip/FES_GSto03_wat/topol.top a8ff529c045067b92202e882f0b334e9 ./aladip/FES_GSto03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_GSto03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_GSto03_wat/gromacs_commands.sh ee5a661f4fc4aa47b2836e9541463493 ./aladip/FES_GSto03_wat/reference.pdb 99656eb9c74bfa17de58dfebf0403470 ./aladip/rmse.R 161d328968730fc20ff61147a8f30348 ./aladip/FES_96toGS_wat/plumed.dat aad996b39dc78ffa9d36df388b99979a ./aladip/FES_96toGS_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96toGS_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96toGS_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96toGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96toGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96toGS_wat/gromacs_commands.sh 694f1d03164992fcf36b3af045b564d0 ./aladip/FES_96toGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99to99SBILDN_wat/plumed.dat 018980c2b83ca055519d6561bf6bbd65 ./aladip/FES_99to99SBILDN_wat/HILLS bbe96755f76e26f3b075216ccb61bf63 ./aladip/FES_99to99SBILDN_wat/npt.gro de4c1c14d9de1cfe552fbe9b3e06e7ec ./aladip/FES_99to99SBILDN_wat/topol.top 4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99to99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99to99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99to99SBILDN_wat/gromacs_commands.sh 5b4a0a197be0f44c62dfd50ee2e686de ./aladip/FES_99to99SBILDN_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99SBILDNto03_wat/plumed.dat e5f80e2a28d96821e099e8c541d6d057 ./aladip/FES_99SBILDNto03_wat/HILLS b4b847b6abb7a1146e9aff1136a9d5a0 ./aladip/FES_99SBILDNto03_wat/npt.gro 8c48832d669aa68849c937dfbfd55adb ./aladip/FES_99SBILDNto03_wat/topol.top b903185c936e20f9d8249e08ed0a2d1c ./aladip/FES_99SBILDNto03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99SBILDNto03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99SBILDNto03_wat/gromacs_commands.sh d6ccd0ae571039379ee4b47d9a9c780d ./aladip/FES_99SBILDNto03_wat/reference.pdb 071d339c81c0eda4f6ac4c6f8282574b ./aladip/fes/fes_99sbto03.txt 7b7a8add6cb3d8e620ef6175de017f6d ./aladip/fes/fes_03togs.txt 5928609deb13a4974fea0e6a9cefed2f ./aladip/fes/fes_94to94.txt 1a96d8413388f6e24d522cb9b413662d ./aladip/fes/fes_gsto96.txt e70372adc9589e24302af23a15411baa ./aladip/fes/fes_96to99sb.txt 2b4e02b09897a4f1440d0fe800a79ed1 ./aladip/fes/fes_94to99sb.txt 7bb524d47ab9bd9c2ff228292e5f812c ./aladip/fes/fes_03to96.txt 93ca7b5ae932b3ab473fe2539238a5b7 ./aladip/fes/fes_03to99.txt 37dd2fc3d2fbc1f80fea55c099d3ed51 ./aladip/fes/fes_94to99sbildn.txt 4aee97f79596ee53941c09c239595b0d ./aladip/fes/fes_99sbto99sbildn.txt f56dc1a6c7eee16e8c76d0937b24895e ./aladip/fes/fes_99sbildnto03.txt ceafbc3ef91e885cdff76e995f73b633 ./aladip/fes/fes_99to94.txt 04a38715f2b24dfda3b633dfeeaeae3b ./aladip/fes/fes_03to99sbildn.txt fa2466fe80e47f037ce934642934b6ba ./aladip/fes/fes_99to96.txt af1430efdd5ffc5d07d507bcb2f4410f ./aladip/fes/fes_gsto94.txt 17e22e8deee3efbbeccd3620ea8252e2 ./aladip/fes/fes_03to99sb.txt 262c9d6da82dee68780d398c488e08ee ./aladip/fes/fes_94to03.txt 77d8814eaa2ace5b0cd81942f7ffa97d ./aladip/fes/fes_99sbtogs.txt e8cc15f82472a5ddd99bba04389e9b08 ./aladip/fes/fes_96togs.txt 36ab46dba4863348869abdd6ef67e78a ./aladip/fes/fes_99sbto96.txt 259bdfeb38020d200c7d27a44deb6d73 ./aladip/fes/fes_94to99.txt 5e1bb46ae04b8ff8e947c6d9bddd5571 ./aladip/fes/fes_96to03.txt 686dbcb435830bda8febc66ebc163607 ./aladip/fes/fes_99sbto94.txt cf2932ab13a0941c019568ce6c4fc8b4 ./aladip/fes/fes_99to99sb.txt ac9e245072e5ac984bea05c6ad7b2c39 ./aladip/fes/fes_94to96.txt 272517eab181d3cc1543346583e6b217 ./aladip/fes/fes_99sbildnto94.txt e0ba506f466bb83b94c46c53c0c7f204 ./aladip/fes/fes_gsto03.txt 8ac1a25b25b97c45b47657c44152559f ./aladip/fes/fes_96to99sbildn.txt 92e457179fce9c1147b8eee848a66511 ./aladip/fes/fes_99sbildnto99sbildn.txt b1f7416cfab7bb98ac309ada992a9433 ./aladip/fes/fes_gsto99sbildn.txt e593c2fa78c5cf946b22eddcbd448b3e ./aladip/fes/fes_99to03.txt e177323b9aa1edb7da677e3fff64a757 ./aladip/fes/fes_99sbildntogs.txt 5696f10058a6233c0369aa741bec9f3f ./aladip/fes/fes_96to99.txt b4e3215f0aa44c313145b063d37b14d2 ./aladip/fes/fes_99sbto99sb.txt 7e5ab98e8e7b744369c84ffe9f75a681 ./aladip/fes/fes_99togs.txt 4e64a18f1fec34178f540d2b40702bae ./aladip/fes/fes_99sbildnto99.txt 203515f051d2f5412e636ae24a5bb7ee ./aladip/fes/fes_99sbildnto96.txt 491419c7c336ea8ad7955b5da87a2681 ./aladip/fes/fes_gsto99.txt 1e1468f928628392451c0bc2a3785190 ./aladip/fes/fes_99to99.txt a955d4ce0529ba2f149e8f64ece0a054 ./aladip/fes/fes_03to03.txt 693986800765d132f4ac57e8fb05074e ./aladip/fes/control/fes_96_1.txt 7fa02e0eb0eed026144508f1b6ce5753 ./aladip/fes/control/fes_03_1.txt 1c41d9cc74d1e882da92b8fe7402c101 ./aladip/fes/control/fes_99sb_1.txt ace2e4aa8f83323215280565022c265c ./aladip/fes/control/fes_99_1.txt c2d38b405fa92f659d93b67b495c3ba3 ./aladip/fes/control/fes_94_1.txt 5e12fb4241243710dc27e6cc1acdab3b ./aladip/fes/control/fes_gs_1.txt fdb0a1688ded034daa300fc93f89e928 ./aladip/fes/control/fes_99sbildn_1.txt 9e65c98346fbeb0bb099e9f8d5643d5e ./aladip/fes/fes_94togs.txt c3220382642306b3aafd084ec76be8af ./aladip/fes/fes_03to94.txt ce29110af363ed861d89373f1d5485e4 ./aladip/fes/fes_99to99sbildn.txt cba4613ba0b3d919471799e11d8d7b19 ./aladip/fes/fes_gstogs.txt 40a4c7745cc5c677e3921e2f9cc5b5fc ./aladip/fes/fes_96to96.txt 3923d5fdecb15300bbdec6e64249552b ./aladip/fes/fes_99sbildnto99sb.txt 9e7e93ac7cd2d6ce226832f9ccc2f632 ./aladip/fes/fes_99sbto99.txt b368205b369097b2a5484c1de5916f2d ./aladip/fes/fes_96to94.txt b49004dfde685650ec9dee7e222cba64 ./aladip/fes/fes_gsto99sb.txt 161d328968730fc20ff61147a8f30348 ./aladip/FES_03toGS_wat/plumed.dat 9ea5ee32e7088de811bf289081fdfb1e ./aladip/FES_03toGS_wat/HILLS 736037695bbd94dd5d9a1ddf4260c5a4 ./aladip/FES_03toGS_wat/npt.gro f09d3a26f2a4b45942600bb5ade0417a ./aladip/FES_03toGS_wat/topol.top bc5c24df6d2a77f637dd15b3d810b020 ./aladip/FES_03toGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_03toGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_03toGS_wat/gromacs_commands.sh c7c98d834378f0ec0abfa1e7afe33e4e ./aladip/FES_03toGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99to96_wat/plumed.dat da1307d73e6e905c4cf0145052418805 ./aladip/FES_99to96_wat/HILLS bbe96755f76e26f3b075216ccb61bf63 ./aladip/FES_99to96_wat/npt.gro de4c1c14d9de1cfe552fbe9b3e06e7ec ./aladip/FES_99to96_wat/topol.top 4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99to96_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99to96_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99to96_wat/gromacs_commands.sh 6a4b552f05a92270df7f7e1d1e82b790 ./aladip/FES_99to96_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_94toGS_wat/plumed.dat a68f9b74acc51e276ae2a6cce708214e ./aladip/FES_94toGS_wat/HILLS 0ae8f685638fefdcb70440dfd322d8c3 ./aladip/FES_94toGS_wat/npt.gro 25d4dea356edaf975d2fe11ff088a24d ./aladip/FES_94toGS_wat/topol.top 552cdcc610c41eb8255d9bace15b33c7 ./aladip/FES_94toGS_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_94toGS_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_94toGS_wat/gromacs_commands.sh 1ff34ee31125857cae7f8f5b6f5cb6df ./aladip/FES_94toGS_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_99to03_wat/plumed.dat 26e02c2cacefa0722e72a9d20b15b8ef ./aladip/FES_99to03_wat/HILLS bbe96755f76e26f3b075216ccb61bf63 ./aladip/FES_99to03_wat/npt.gro de4c1c14d9de1cfe552fbe9b3e06e7ec ./aladip/FES_99to03_wat/topol.top 4efa5f93d7bcc43a7f4dfcec1f1efef4 ./aladip/FES_99to03_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_99to03_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_99to03_wat/gromacs_commands.sh cff7f7143e873b2ee58f6fe07900d01e ./aladip/FES_99to03_wat/reference.pdb 161d328968730fc20ff61147a8f30348 ./aladip/FES_96to99SBILDN_wat/plumed.dat 20305ba32d66d4f6013111b1f614ddba ./aladip/FES_96to99SBILDN_wat/HILLS db5ba28becb0d6726f560b0a97553fe4 ./aladip/FES_96to99SBILDN_wat/npt.gro 98305e3ee9a96710773e82b53a148a7c ./aladip/FES_96to99SBILDN_wat/topol.top 652eb7360cbf49b4488999bf530d2014 ./aladip/FES_96to99SBILDN_wat/npt.cpt 7743f35e2add96ebb30d0119df20aebb ./aladip/FES_96to99SBILDN_wat/md.mdp 57aacb6ab57c65815514dd9e07384e9d ./aladip/FES_96to99SBILDN_wat/gromacs_commands.sh c857020e006d6421d47752184797e3b1 ./aladip/FES_96to99SBILDN_wat/reference.pdb d7232f36bcba95acb8815b30d761c5d9 ./imatinib/correction/plumed.dat a687c6736c3c36c435d7b6344672319b ./imatinib/correction/npt.gro 1d0a23d10c3ce09ae45f2cbe0676d6c0 ./imatinib/correction/mtd.mdp 7a2b90be03b9faf19baa549d39399389 ./imatinib/correction/gromacs.sh e4aa134ad8ad911d76adfd36403dc16e ./imatinib/correction/npt.cpt 11656eb9ef6128a0eb9d503a9099cd9e ./imatinib/correction/reference.pdb 80c5f50da42b7d738ade62150a1fa24f ./imatinib/correction/MOL_GMX.top a687c6736c3c36c435d7b6344672319b ./imatinib/without_correction/npt.gro 9d38c691122067bea89888c188ee4050 ./imatinib/without_correction/mtd.mdp e4aa134ad8ad911d76adfd36403dc16e ./imatinib/without_correction/npt.cpt 80c5f50da42b7d738ade62150a1fa24f ./imatinib/without_correction/MOL_GMX.top