[gmx-users] position and distance restrain
pathumwadeei at yahoo.com
Wed Nov 12 01:13:21 CET 2008
Do I define position and distance restrain simulteneusly?
my md.mdp has set as below
but it works only for position restrain.
title = M2_amand in POPC
cpp = /lib/cpp
define = -DPOSRES
define = -DDISRES
constraints = all-bonds
disre = simple
integrator = md
thanks in advance
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