[gmx-users] position and distance restrain

Pathumwadee Intharathep pathumwadeei at yahoo.com
Wed Nov 12 01:13:21 CET 2008


Dear  gmx-user,
 
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
 
pathum


      
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