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HEAD
Fixed incorrect enum
[alexxy/gromacs.git]
/
tests
/
physicalvalidation
/
systems
/
ens_water_md_verlet_settle_pme_vr_cr
/
input
/
system.mdp
1
nsteps = 500000
2
dt = 0.002
3
cutoff-scheme = verlet
4
coulombtype = PME
5
tcoupl = v-rescale
6
tc-grps = system
7
ref-t = 298.15
8
tau-t = 0.1
9
pcoupl = C-rescale
10
ref-p = 1.0
11
compressibility = 4.5e-5