BiasedSimulations-96molecules.zip
BiasedSimulations-96molecules
270K
COLVAR.0
37.9 MB
COLVAR.1
37.9 MB
COLVAR.2
37.9 MB
COLVAR.3
38.0 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-100000.data
14.0 kB
bias.b1.iter-40000.data
14.0 kB
bias.b1.iter-60000.data
14.0 kB
coeffs.data
1.9 MB
fes.b1.iter-100000.data
9.5 kB
fes.b1.iter-40000.data
9.5 kB
fes.b1.iter-60000.data
9.5 kB
in.box
34 Bytes
in.dump
98 Bytes
in.partitions
34 Bytes
in.pressure
91 Bytes
in.seed
53 Bytes
in.setup
309 Bytes
in.temp
63 Bytes
in.tip4p
476 Bytes
job.sh
3.1 kB
log.lammps.0
32.4 MB
log.lammps.1
32.4 MB
log.lammps.2
32.4 MB
log.lammps.3
32.4 MB
plotCoeffs.py
201 Bytes
plumed.dat
1.7 kB
plumed.out
9.4 kB
plumed.start.dat
1.8 kB
start.lmp
642 Bytes
targetdist.b1.iter-100000.data
9.5 kB
targetdist.b1.iter-40000.data
9.5 kB
targetdist.b1.iter-60000.data
9.5 kB
water.data.0
56.1 kB
water.data.1
56.1 kB
water.data.2
56.1 kB
water.data.3
56.1 kB
280K
COLVAR.0
25.3 MB
COLVAR.1
25.3 MB
COLVAR.2
25.3 MB
COLVAR.3
25.3 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-40000.data
14.0 kB
bias.b1.iter-50000.data
14.0 kB
coeffs.data
950.2 kB
fes.b1.iter-40000.data
9.5 kB
fes.b1.iter-50000.data
9.5 kB
in.box
34 Bytes
in.dump
98 Bytes
in.partitions
34 Bytes
in.pressure
91 Bytes
in.seed
53 Bytes
in.setup
309 Bytes
in.temp
63 Bytes
in.tip4p
476 Bytes
job.sh
3.1 kB
log.lammps.0
43.7 MB
log.lammps.1
43.7 MB
log.lammps.2
43.7 MB
log.lammps.3
43.7 MB
plumed.dat
1.7 kB
plumed.out
9.4 kB
plumed.start.dat
1.8 kB
start.lmp
641 Bytes
targetdist.b1.iter-40000.data
9.5 kB
targetdist.b1.iter-50000.data
9.5 kB
water.data.0
56.1 kB
water.data.1
56.1 kB
water.data.2
56.1 kB
water.data.3
56.1 kB
290K
COLVAR.0
25.3 MB
COLVAR.1
25.3 MB
COLVAR.2
25.3 MB
COLVAR.3
25.3 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-40000.data
14.0 kB
coeffs.data
760.5 kB
fes.b1.iter-40000.data
9.5 kB
in.box
34 Bytes
in.dump
98 Bytes
in.partitions
34 Bytes
in.pressure
91 Bytes
in.seed
53 Bytes
in.setup
309 Bytes
in.temp
63 Bytes
in.tip4p
476 Bytes
job.sh
3.1 kB
log.lammps.0
43.7 MB
log.lammps.1
43.7 MB
log.lammps.2
43.7 MB
log.lammps.3
43.7 MB
plumed.dat
1.7 kB
plumed.out
9.4 kB
plumed.start.dat
1.8 kB
start.lmp
641 Bytes
targetdist.b1.iter-40000.data
9.5 kB
water.data.0
56.1 kB
water.data.1
56.1 kB
water.data.2
56.1 kB
water.data.3
56.1 kB
300K
Analysis
COLVARdipole
173.5 MB
script.py
1.5 kB
COLVAR.0
25.3 MB
COLVAR.1
25.4 MB
COLVAR.2
25.3 MB
COLVAR.3
25.3 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-40000.data
14.0 kB
coeffs.data
760.5 kB
fes.b1.iter-40000.data
9.5 kB
in.box
34 Bytes
in.dump
98 Bytes
in.partitions
34 Bytes
in.pressure
91 Bytes
in.seed
53 Bytes
in.setup
309 Bytes
in.temp
63 Bytes
in.tip4p
476 Bytes
job.sh
3.1 kB
log.lammps.0
43.7 MB
log.lammps.1
43.7 MB
log.lammps.2
43.7 MB
log.lammps.3
43.7 MB
plotCoeffs.py
201 Bytes
plumed.dat
1.7 kB
plumed.out
9.4 kB
plumed.start.dat
1.8 kB
start.lmp
641 Bytes
targetdist.b1.iter-40000.data
9.5 kB
water.data.0
56.1 kB
water.data.1
56.1 kB
water.data.2
56.1 kB
water.data.3
56.1 kB