From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Nov 21 2006 - 15:13:40 CST
as far as I know this is not possible without editing the NAMD energy
function (found in ComputeNonbondedBase2.h), although hopefully future
versions will make this easier.
Arturas Ziemys wrote:
> I am searching ways to introduce the particle which has only repulsive force and the repulsion is applied to some set or types of atoms: the rest atoms are "transparent" to the repulsive forces of that particle.
> Is there any way to implement that without Tcl forces in NAMD ?
> References to some similar implementations would be welcome.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:11 CST