[gmx-users] force evaluation
suman at sscu.iisc.ernet.in
Tue Jan 6 13:24:58 CET 2009
On Tue, Jan 6, 2009 at 2:29 PM, Florian Dommert
<dommert at fias.uni-frankfurt.de> wrote:
> Finally it would be very interested in a possiblity to switch off the
> vdw interactions easily. So far I used an appropiate topology files with C6
> C12 set to zero. Is there an easier solution as using a table filled
> with zeros ?
What about using the energygrp_excl parameter in the mdp file? It will
turn off ALL non-bonded interactions though.
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