restraining groups of atoms

From: Massimiliano Porrini (
Date: Mon Jun 20 2011 - 07:03:09 CDT

Dear namd-lers,

I am running some MD trajectories of a dimer in implicit solvent.

What I would like to do is to put a harmonic potential between
the centers of mass of each monomer in order to prevent them to
go too far away one from another.

Is that possible with NAMD ?

What I found in the manual is only about harmonic restraining of
atoms, bonds, angles and dihedrals.

Many thanks in advance for your help.

All the best,

Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails :

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:20 CST