Water.zip
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Water
MultithermalMultibaricSimulations
MultithermalMultibaric
Analysis
COLVARtrim
17.7 MB
Reweight-100MPa
COLVAR
23.5 MB
COLVAR260
1.1 kB
COLVAR262
1.1 kB
COLVAR264
1.1 kB
COLVAR266
1.1 kB
COLVAR268
1.1 kB
COLVAR270
1.1 kB
COLVAR272
1.1 kB
COLVAR274
1.1 kB
COLVAR276
1.1 kB
COLVAR278
1.1 kB
COLVAR280
1.1 kB
COLVAR282
1.1 kB
COLVAR284
1.1 kB
COLVAR286
1.1 kB
COLVAR288
1.1 kB
COLVAR290
1.1 kB
COLVAR292
1.1 kB
COLVAR294
1.1 kB
COLVAR296
1.1 kB
COLVAR298
1.1 kB
COLVAR300
1.1 kB
COLVAR302
1.1 kB
COLVAR304
1.1 kB
COLVAR306
1.1 kB
COLVAR308
1.1 kB
COLVAR310
1.1 kB
COLVAR312
1.1 kB
COLVAR314
1.1 kB
COLVAR316
1.1 kB
COLVAR318
1.1 kB
COLVAR320
1.1 kB
COLVAR322
1.1 kB
COLVAR324
1.1 kB
COLVAR326
1.1 kB
COLVAR328
1.1 kB
COLVAR330
1.1 kB
COLVAR332
1.1 kB
COLVAR334
1.1 kB
COLVAR336
1.1 kB
COLVAR338
1.1 kB
COLVAR340
1.1 kB
COLVAR342
1.1 kB
COLVAR344
1.1 kB
COLVAR346
1.1 kB
COLVAR348
1.1 kB
COLVAR350
1.1 kB
createPlumedInput.py
1.2 kB
joinEnergy.py
266 Bytes
joinVolume.py
263 Bytes
plumed.dat
16.2 kB
resultsEnergy.txt
784 Bytes
resultsVolume.txt
3.6 kB
Reweight-1bar
COLVAR
23.5 MB
COLVAR260
1.1 kB
COLVAR262
1.1 kB
COLVAR264
1.1 kB
COLVAR266
1.1 kB
COLVAR268
1.1 kB
COLVAR270
1.1 kB
COLVAR272
1.1 kB
COLVAR274
1.1 kB
COLVAR276
1.1 kB
COLVAR278
1.1 kB
COLVAR280
1.1 kB
COLVAR282
1.1 kB
COLVAR284
1.1 kB
COLVAR286
1.1 kB
COLVAR288
1.1 kB
COLVAR290
1.1 kB
COLVAR292
1.1 kB
COLVAR294
1.1 kB
COLVAR296
1.1 kB
COLVAR298
1.1 kB
COLVAR300
1.1 kB
COLVAR302
1.1 kB
COLVAR304
1.1 kB
COLVAR306
1.1 kB
COLVAR308
1.1 kB
COLVAR310
1.1 kB
COLVAR312
1.1 kB
COLVAR314
1.1 kB
COLVAR316
1.1 kB
COLVAR318
1.1 kB
COLVAR320
1.1 kB
COLVAR322
1.1 kB
COLVAR324
1.1 kB
COLVAR326
1.1 kB
COLVAR328
1.1 kB
COLVAR330
1.1 kB
COLVAR332
1.1 kB
COLVAR334
1.1 kB
COLVAR336
1.1 kB
COLVAR338
1.1 kB
COLVAR340
1.1 kB
COLVAR342
1.1 kB
COLVAR344
1.1 kB
COLVAR346
1.1 kB
COLVAR348
1.1 kB
COLVAR350
1.1 kB
createPlumedInput.py
1.2 kB
joinEnergy.py
266 Bytes
joinVolume.py
263 Bytes
plumed.dat
16.3 kB
resultsEnergy.txt
784 Bytes
resultsVolume.txt
3.6 kB
Reweight-200MPa
COLVAR
23.5 MB
COLVAR260
1.1 kB
COLVAR262
1.1 kB
COLVAR264
1.1 kB
COLVAR266
1.1 kB
COLVAR268
1.1 kB
COLVAR270
1.1 kB
COLVAR272
1.1 kB
COLVAR274
1.1 kB
COLVAR276
1.1 kB
COLVAR278
1.1 kB
COLVAR280
1.1 kB
COLVAR282
1.1 kB
COLVAR284
1.1 kB
COLVAR286
1.1 kB
COLVAR288
1.1 kB
COLVAR290
1.1 kB
COLVAR292
1.1 kB
COLVAR294
1.1 kB
COLVAR296
1.1 kB
COLVAR298
1.1 kB
COLVAR300
1.1 kB
COLVAR302
1.1 kB
COLVAR304
1.1 kB
COLVAR306
1.1 kB
COLVAR308
1.1 kB
COLVAR310
1.1 kB
COLVAR312
1.1 kB
COLVAR314
1.1 kB
COLVAR316
1.1 kB
COLVAR318
1.1 kB
COLVAR320
1.1 kB
COLVAR322
1.1 kB
COLVAR324
1.1 kB
COLVAR326
1.1 kB
COLVAR328
1.1 kB
COLVAR330
1.1 kB
COLVAR332
1.1 kB
COLVAR334
1.1 kB
COLVAR336
1.1 kB
COLVAR338
1.1 kB
COLVAR340
1.1 kB
COLVAR342
1.1 kB
COLVAR344
1.1 kB
COLVAR346
1.1 kB
COLVAR348
1.1 kB
COLVAR350
1.1 kB
createPlumedInput.py
1.2 kB
joinEnergy.py
266 Bytes
joinVolume.py
263 Bytes
plumed.dat
16.3 kB
resultsEnergy.txt
784 Bytes
resultsVolume.txt
3.6 kB
Reweight-300MPa
COLVAR
23.5 MB
COLVAR260
1.1 kB
joinEnergy.py
266 Bytes
plumed.dat
16.3 kB
resultsEnergy.txt
784 Bytes
resultsVolume.txt
3.6 kB
Input
createTpr.sh
130 Bytes
inputParameters.mdp
1.3 kB
plumed.dat
826 Bytes
plumed.start.dat
982 Bytes
run.sh
954 Bytes
topol.top
1.2 kB
topol.tpr
52.5 kB
water256.gro
70.7 kB
Output
COLVAR
17.8 MB
Water.cpt
51.6 kB
Water.edr
1.7 GB
Water.gro
70.7 kB
Water.log
7.4 MB
Water.out
3.3 kB
Water.xtc
1.1 GB
bias
bias.b1.iter-0.data
3.2 MB
bias.b1.iter-1000.data
3.2 MB
bias.b1.iter-10000.data
3.2 MB
bias.b1.iter-100000.data
3.2 MB
bias.b1.iter-10500.data
3.2 MB
bias.b1.iter-11000.data
3.2 MB
bias.b1.iter-11500.data
3.2 MB
bias.b1.iter-12000.data
3.2 MB
bias.b1.iter-12500.data
3.2 MB
bias.b1.iter-13000.data
3.2 MB
bias.b1.iter-13500.data
3.2 MB
bias.b1.iter-14000.data
3.2 MB
bias.b1.iter-14500.data
3.2 MB
bias.b1.iter-1500.data
3.2 MB
bias.b1.iter-15000.data
3.2 MB
bias.b1.iter-15500.data
3.2 MB
bias.b1.iter-16000.data
3.2 MB
bias.b1.iter-16500.data
3.2 MB
bias.b1.iter-17000.data
3.2 MB
bias.b1.iter-17500.data
3.2 MB
bias.b1.iter-18000.data
3.2 MB
bias.b1.iter-18500.data
3.2 MB
bias.b1.iter-19000.data
3.2 MB
bias.b1.iter-19500.data
3.2 MB
bias.b1.iter-2000.data
3.2 MB
bias.b1.iter-20000.data
3.2 MB
bias.b1.iter-20500.data
3.2 MB
bias.b1.iter-21000.data
3.2 MB
bias.b1.iter-21500.data
3.2 MB
bias.b1.iter-22000.data
3.2 MB
bias.b1.iter-22500.data
3.2 MB
bias.b1.iter-23000.data
3.2 MB
bias.b1.iter-23500.data
3.2 MB
bias.b1.iter-24000.data
3.2 MB
bias.b1.iter-24500.data
3.2 MB
bias.b1.iter-2500.data
3.2 MB
bias.b1.iter-25000.data
3.2 MB
bias.b1.iter-25500.data
3.2 MB
bias.b1.iter-26000.data
3.2 MB
bias.b1.iter-26500.data
3.2 MB
bias.b1.iter-27000.data
3.2 MB
bias.b1.iter-27500.data
3.2 MB
bias.b1.iter-28000.data
3.2 MB
bias.b1.iter-28500.data
3.2 MB
bias.b1.iter-29000.data
3.2 MB
bias.b1.iter-29500.data
3.2 MB
bias.b1.iter-3000.data
3.2 MB
bias.b1.iter-30000.data
3.2 MB
bias.b1.iter-30500.data
3.2 MB
bias.b1.iter-31000.data
3.2 MB
bias.b1.iter-31500.data
3.2 MB
bias.b1.iter-32000.data
3.2 MB
bias.b1.iter-32500.data
3.2 MB
bias.b1.iter-33000.data
3.2 MB
bias.b1.iter-33500.data
3.2 MB
bias.b1.iter-34000.data
3.2 MB
bias.b1.iter-34500.data
3.2 MB
bias.b1.iter-3500.data
3.2 MB
bias.b1.iter-35000.data
3.2 MB
bias.b1.iter-35500.data
3.2 MB
bias.b1.iter-36000.data
3.2 MB
bias.b1.iter-36500.data
3.2 MB
bias.b1.iter-37000.data
3.2 MB
bias.b1.iter-37500.data
3.2 MB
bias.b1.iter-38000.data
3.2 MB
bias.b1.iter-38500.data
3.2 MB
bias.b1.iter-39000.data
3.2 MB
bias.b1.iter-39500.data
3.2 MB
bias.b1.iter-4000.data
3.2 MB
bias.b1.iter-40000.data
3.2 MB
bias.b1.iter-40500.data
3.2 MB
bias.b1.iter-41000.data
3.2 MB
bias.b1.iter-41500.data
3.2 MB
bias.b1.iter-42000.data
3.2 MB
bias.b1.iter-42500.data
3.2 MB
bias.b1.iter-43000.data
3.2 MB
bias.b1.iter-43500.data
3.2 MB
bias.b1.iter-44000.data
3.2 MB
bias.b1.iter-44500.data
3.2 MB
bias.b1.iter-4500.data
3.2 MB
bias.b1.iter-45000.data
3.2 MB
bias.b1.iter-45500.data
3.2 MB
bias.b1.iter-46000.data
3.2 MB
bias.b1.iter-46500.data
3.2 MB
bias.b1.iter-47000.data
3.2 MB
bias.b1.iter-47500.data
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bias.b1.iter-48000.data
3.2 MB
bias.b1.iter-48500.data
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bias.b1.iter-49000.data
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bias.b1.iter-49500.data
3.2 MB
bias.b1.iter-500.data
3.2 MB
bias.b1.iter-5000.data
3.2 MB
bias.b1.iter-50000.data
3.2 MB
bias.b1.iter-50500.data
3.2 MB
bias.b1.iter-51000.data
3.2 MB
bias.b1.iter-51500.data
3.2 MB
bias.b1.iter-52000.data
3.2 MB
bias.b1.iter-52500.data
3.2 MB
bias.b1.iter-53000.data
3.2 MB
bias.b1.iter-53500.data
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bias.b1.iter-54000.data
3.2 MB
bias.b1.iter-54500.data
3.2 MB
bias.b1.iter-5500.data
3.2 MB
bias.b1.iter-55000.data
3.2 MB
bias.b1.iter-55500.data
3.2 MB
bias.b1.iter-56000.data
3.2 MB
bias.b1.iter-56500.data
3.2 MB
bias.b1.iter-57000.data
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bias.b1.iter-57500.data
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bias.b1.iter-58000.data
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bias.b1.iter-58500.data
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bias.b1.iter-59000.data
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bias.b1.iter-59500.data
3.2 MB
bias.b1.iter-6000.data
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bias.b1.iter-60000.data
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bias.b1.iter-60500.data
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bias.b1.iter-61000.data
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bias.b1.iter-61500.data
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bias.b1.iter-62500.data
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bias.b1.iter-64000.data
3.2 MB
bias.b1.iter-64500.data
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bias.b1.iter-6500.data
3.2 MB
bias.b1.iter-65000.data
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bias.b1.iter-65500.data
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bias.b1.iter-66000.data
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bias.b1.iter-66500.data
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bias.b1.iter-67000.data
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bias.b1.iter-67500.data
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bias.b1.iter-68000.data
3.2 MB
bias.b1.iter-68500.data
3.2 MB
bias.b1.iter-69000.data
3.2 MB
bias.b1.iter-69500.data
3.2 MB
bias.b1.iter-7000.data
3.2 MB
bias.b1.iter-70000.data
3.2 MB
bias.b1.iter-70500.data
3.2 MB
bias.b1.iter-71000.data
3.2 MB
bias.b1.iter-71500.data
3.2 MB
bias.b1.iter-72000.data
3.2 MB
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3.2 MB
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3.2 MB
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3.2 MB
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3.2 MB
bias.b1.iter-74500.data
3.2 MB
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3.2 MB
bias.b1.iter-75000.data
3.2 MB
bias.b1.iter-75500.data
3.2 MB
bias.b1.iter-76000.data
3.2 MB
bias.b1.iter-76500.data
3.2 MB
bias.b1.iter-77000.data
3.2 MB
bias.b1.iter-77500.data
3.2 MB
bias.b1.iter-78000.data
3.2 MB
bias.b1.iter-78500.data
3.2 MB
bias.b1.iter-79000.data
3.2 MB
bias.b1.iter-79500.data
3.2 MB
bias.b1.iter-8000.data
3.2 MB
bias.b1.iter-80000.data
3.2 MB
bias.b1.iter-80500.data
3.2 MB
bias.b1.iter-81000.data
3.2 MB
bias.b1.iter-81500.data
3.2 MB
bias.b1.iter-82000.data
3.2 MB
bias.b1.iter-82500.data
3.2 MB
bias.b1.iter-83000.data
3.2 MB
bias.b1.iter-83500.data
3.2 MB
bias.b1.iter-84000.data
3.2 MB
bias.b1.iter-84500.data
3.2 MB
bias.b1.iter-8500.data
3.2 MB
bias.b1.iter-85000.data
3.2 MB
bias.b1.iter-85500.data
3.2 MB
bias.b1.iter-86000.data
3.2 MB
bias.b1.iter-86500.data
3.2 MB
bias.b1.iter-87000.data
3.2 MB
bias.b1.iter-87500.data
3.2 MB
bias.b1.iter-88000.data
3.2 MB
bias.b1.iter-88500.data
3.2 MB
bias.b1.iter-89000.data
3.2 MB
bias.b1.iter-89500.data
3.2 MB
bias.b1.iter-9000.data
3.2 MB
bias.b1.iter-90000.data
3.2 MB
bias.b1.iter-90500.data
3.2 MB
bias.b1.iter-91000.data
3.2 MB
bias.b1.iter-91500.data
3.2 MB
bias.b1.iter-92000.data
3.2 MB
bias.b1.iter-92500.data
3.2 MB
bias.b1.iter-93000.data
3.2 MB
bias.b1.iter-93500.data
3.2 MB
bias.b1.iter-94000.data
3.2 MB
bias.b1.iter-94500.data
3.2 MB
bias.b1.iter-9500.data
3.2 MB
bias.b1.iter-95000.data
3.2 MB
bias.b1.iter-95500.data
3.2 MB
bias.b1.iter-96000.data
3.2 MB
bias.b1.iter-96500.data
3.2 MB
bias.b1.iter-97000.data
3.2 MB
bias.b1.iter-97500.data
3.2 MB
bias.b1.iter-98000.data
3.2 MB
bias.b1.iter-98500.data
3.2 MB
bias.b1.iter-99000.data
3.2 MB
bias.b1.iter-99500.data
3.2 MB
coeffs.data
107.8 MB
energy.xvg
8.6 MB
fes
fes.b1.iter-0.data
1.9 MB
fes.b1.iter-1000.data
1.9 MB
fes.b1.iter-10000.data
1.9 MB
fes.b1.iter-100000.data
1.9 MB
fes.b1.iter-10500.data
1.9 MB
fes.b1.iter-11000.data
1.9 MB
fes.b1.iter-11500.data
1.9 MB
fes.b1.iter-12000.data
1.9 MB
fes.b1.iter-12500.data
1.9 MB
fes.b1.iter-13000.data
1.9 MB
fes.b1.iter-13500.data
1.9 MB
fes.b1.iter-14000.data
1.9 MB
fes.b1.iter-14500.data
1.9 MB
fes.b1.iter-1500.data
1.9 MB
fes.b1.iter-15000.data
1.9 MB
fes.b1.iter-15500.data
1.9 MB
fes.b1.iter-16000.data
1.9 MB
fes.b1.iter-16500.data
1.9 MB
fes.b1.iter-17000.data
1.9 MB
fes.b1.iter-17500.data
1.9 MB
fes.b1.iter-18000.data
1.9 MB
fes.b1.iter-18500.data
1.9 MB
fes.b1.iter-19000.data
1.9 MB
fes.b1.iter-19500.data
1.9 MB
fes.b1.iter-2000.data
1.9 MB
fes.b1.iter-20000.data
1.9 MB
fes.b1.iter-20500.data
1.9 MB
fes.b1.iter-21000.data
1.9 MB
fes.b1.iter-21500.data
1.9 MB
fes.b1.iter-22000.data
1.9 MB
fes.b1.iter-22500.data
1.9 MB
fes.b1.iter-23000.data
1.9 MB
fes.b1.iter-23500.data
1.9 MB
fes.b1.iter-24000.data
1.9 MB
fes.b1.iter-24500.data
1.9 MB
fes.b1.iter-2500.data
1.9 MB
fes.b1.iter-25000.data
1.9 MB
fes.b1.iter-25500.data
1.9 MB
fes.b1.iter-26000.data
1.9 MB
fes.b1.iter-26500.data
1.9 MB
fes.b1.iter-27000.data
1.9 MB
fes.b1.iter-27500.data
1.9 MB
fes.b1.iter-28000.data
1.9 MB
fes.b1.iter-28500.data
1.9 MB
fes.b1.iter-29000.data
1.9 MB
fes.b1.iter-29500.data
1.9 MB
fes.b1.iter-3000.data
1.9 MB
fes.b1.iter-30000.data
1.9 MB
fes.b1.iter-30500.data
1.9 MB
fes.b1.iter-31000.data
1.9 MB
fes.b1.iter-31500.data
1.9 MB
fes.b1.iter-32000.data
1.9 MB
fes.b1.iter-32500.data
1.9 MB
fes.b1.iter-33000.data
1.9 MB
fes.b1.iter-33500.data
1.9 MB
fes.b1.iter-34000.data
1.9 MB
fes.b1.iter-34500.data
1.9 MB
fes.b1.iter-3500.data
1.9 MB
fes.b1.iter-35000.data
1.9 MB
fes.b1.iter-35500.data
1.9 MB
fes.b1.iter-36000.data
1.9 MB
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1.9 MB
fes.b1.iter-37000.data
1.9 MB
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1.9 MB
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1.9 MB
fes.b1.iter-38500.data
1.9 MB
fes.b1.iter-39000.data
1.9 MB
fes.b1.iter-39500.data
1.9 MB
fes.b1.iter-4000.data
1.9 MB
fes.b1.iter-40000.data
1.9 MB
fes.b1.iter-40500.data
1.9 MB
fes.b1.iter-41000.data
1.9 MB
fes.b1.iter-41500.data
1.9 MB
fes.b1.iter-42000.data
1.9 MB
fes.b1.iter-42500.data
1.9 MB
fes.b1.iter-43000.data
1.9 MB
fes.b1.iter-43500.data
1.9 MB
fes.b1.iter-44000.data
1.9 MB
fes.b1.iter-44500.data
1.9 MB
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1.9 MB
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1.9 MB
fes.b1.iter-45500.data
1.9 MB
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1.9 MB
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fes.b1.iter-500.data
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fes.b1.iter-5000.data
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1.9 MB
fes.b1.iter-51500.data
1.9 MB
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1.9 MB
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1.9 MB
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1.9 MB
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1.9 MB
fes.b1.iter-54500.data
1.9 MB
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fes.b1.iter-55000.data
1.9 MB
fes.b1.iter-55500.data
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mdout.mdp
12.0 kB
targetdistributions
targetdist-averages.data
14.0 kB
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