[gmx-users] em.mdp file

Lara Bunte lara.bunte at yahoo.de
Mon Mar 5 18:24:55 CET 2012


Hello

Is this em.mdp file correct for a simple MD simulation?

integrator = steep

nsteps = 200

nstlist = 10

rlist = 1.0

coulombtype = pme

rcoulomb = 1.0

vdw-type = cut-off

rvdw = 1.0

nstenergy = 10


Thanks for help
Greetings
Lara




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