restraining groups of atoms

From: Massimiliano Porrini (M.Porrini_at_ed.ac.uk)
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,
MP

-- 
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 : M.Porrini_at_ed.ac.uk
             mozz76_at_gmail.com
             maxp_at_iesl.forth.gr

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:29 CST