ITRE_plumed_inputs.zip
ITRE_plumed_inputs
analytic_pes
2_D
P_0.dat
1.9 kB
P_0_1.dat
198.9 kB
P_1.dat
1.9 kB
edges.dat
2.5 kB
grid.xyz
563.2 kB
grid_to_xyz.py
688 Bytes
launch_calculation.sh
459 Bytes
pes.TRAJ
230.4 kB
pes.dat
101.5 kB
pes_1d.dat
92 Bytes
pes_2d.dat
62.5 kB
plumed_reweight.dat
550 Bytes
3_D
P_0.dat
1.9 kB
P_0_1.dat
197.4 kB
P_0_2.dat
197.5 kB
P_1.dat
1.9 kB
P_1_2.dat
197.6 kB
P_2.dat
1.9 kB
edges.dat
2.5 kB
grid_to_xyz.py
740 Bytes
launch_calculation.sh
729 Bytes
pes.TRAJ
25.7 MB
pes.dat
10.8 MB
plumed_reweight.dat
1.2 kB
6_D
launch_calculation.sh
732 Bytes
plumed_reweight.dat
2.3 kB
README.md
427 Bytes
grid_to_xyz
grid_to_xyz.cpp
1.2 kB
integrate_probability
integrate_probability.cpp
5.1 kB
meta_reweigthing
2_D
launch_calculation.sh
690 Bytes
plumed_reweight.dat
963 Bytes
reweight_calculation.sh
301 Bytes
template
input
139 Bytes
plumed.dat
996 Bytes
prepare_launch.sh
85 Bytes
2_D_adaptive
launch_calculation.sh
689 Bytes
template
input
136 Bytes
plumed.dat
849 Bytes
prepare_launch.sh
226 Bytes
3_D
launch_calculation.sh
884 Bytes
plumed_reweight.dat
1.6 kB
reweight_calculation.sh
302 Bytes
template
input
142 Bytes
plumed.dat
1.6 kB
6_D
input
160 Bytes
plumed.dat
2.5 kB
plumed_reweight.dat
2.6 kB
prepare_launch.sh
159 Bytes
6_D_adaptive
input
166 Bytes
plumed.dat
2.5 kB
prepare_launch.sh
159 Bytes
LJ-38
lj.data
1.3 kB
lj.input
535 Bytes
lj.xyz
2.7 kB
plumed.dat
464 Bytes
plumed_reweight.dat
575 Bytes
README.md
262 Bytes