[gmx-users] combination rules -- the part about the combination rules

2009-02-18 Thread chris . neale
For LJ interactions, use [ pairtypes ]. For Coulombics there is unfortunately no analogous solution. I am not clear about exactly what you want to do. What parameters are you interested in, or by this do you just mean LJ and Q? Chris. -- original message -- Hello, I was wondering how

RE: [gmx-users] combination rules -- the part about the combination rules

2009-02-18 Thread Berk Hess
: [gmx-users] combination rules -- the part about the combination rules For LJ interactions, use [ pairtypes ]. For Coulombics there is unfortunately no analogous solution. I am not clear about exactly what you want to do. What parameters are you interested in, or by this do you just