BiasedSimulations-288molecules.zip
BiasedSimulations-288molecules
280K
COLVAR.0
58.6 MB
COLVAR.1
58.8 MB
COLVAR.2
58.6 MB
COLVAR.3
58.6 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-100000.data
14.0 kB
coeffs.data
1.9 MB
fes.b1.iter-100000.data
9.5 kB
fix.sh
349 Bytes
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
3.0 kB
plot.gpi
112 Bytes
plotCoeff.py
199 Bytes
plumed.dat
1.8 kB
plumed.out
12.1 kB
plumed.start.dat
1.9 kB
start.lmp
642 Bytes
targetdist.b1.iter-100000.data
9.5 kB
water.data.0
169.2 kB
water.data.1
169.2 kB
water.data.2
169.2 kB
water.data.3
169.2 kB
290K
COLVAR.0
38.4 MB
COLVAR.1
38.2 MB
COLVAR.2
38.4 MB
COLVAR.3
38.4 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-99500.data
14.0 kB
coeffs.data
1.9 MB
fes.b1.iter-99500.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
plot.gpi
112 Bytes
plumed.dat
1.7 kB
plumed.out
11.0 kB
plumed.start.dat
1.8 kB
start.lmp
642 Bytes
targetdist.b1.iter-99500.data
9.5 kB
water.data.0
169.2 kB
water.data.1
169.2 kB
water.data.2
169.2 kB
water.data.3
169.2 kB
300K
COLVAR.0
25.7 MB
COLVAR.1
25.8 MB
COLVAR.2
25.7 MB
COLVAR.3
25.7 MB
README.md
159 Bytes
Restart.lmp
605 Bytes
bias.b1.iter-79500.data
14.0 kB
coeffs.data
1.5 MB
fes.b1.iter-79500.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
2.9 kB
plot.gpi
112 Bytes
plotCoeffs.py
201 Bytes
plumed.dat
1.7 kB
plumed.out
11.0 kB
plumed.start.dat
1.8 kB
start.lmp
642 Bytes
targetdist.b1.iter-79500.data
9.5 kB
water.data.0
169.2 kB
water.data.1
169.2 kB
water.data.2
169.2 kB
water.data.3
169.2 kB