[gmx-users] Re: Charmm 36 forcefield with verlet cut-off scheme

akk5r akk5r at virginia.edu
Mon Sep 23 22:04:27 CEST 2013


With what was said: what do you all think of the following parameters for
Charmm 36:

rlist = 1.2
rlistlong = 1.4
vdwtype = cutoff
rvdw-switch = 1.0
rvdw = 1.2
rcouloumb = 1.2
vdw-modifier = Potential-shift-Verlet
DispCorr = No
cutoff-scheme = Verlet

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