[gmx-users] disre and posres together?

Banafsheh Mehrazma bmehrazma at gmail.com
Tue May 1 08:58:07 CEST 2012


Dear all;
I am wondering if we can use both disre and POSRES in .mdp file together?
To be more perspective,  is it correct to add all these below in the *.mdp
file?
..........................................
define = -DPOSRES
disre             = simple
disre-weighting   = equal
disre-mixed       = no
disre-fc          = 1000
disre-tau         = 0
.........................................

Thank you for your time
B.Mehrazma
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