Thanks, Mark. That means I can set energygrp_excl = Protein Protein, then I can get rid of those parameter which are related to electrostatics, Vdw( like rcoulomb, vdw-type, rvdw, rvdw-switch, etc). Am I right? Thanks so much. -Xianghong Qi
On Tue, Nov 18, 2008 at 7:19 PM, Mark Abraham <[EMAIL PROTECTED]>wrote: > xianghong qi wrote: > >> Dear all: >> >> I have a simple system which has two methane molecules with water. Now I >> need turn off the intermolecular interactions between these two methanes and >> just run >> simulation. So I can get the random placement of two methanes. The >> question is how to turn off the intermolecular interaction. Does anyone have >> suggestions for that? >> > > Look for "energy group exclusions" in the manual. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Some people make the world more special just by being in it.
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