Re: restraining groups of atoms

From: Wang Yi (dexterwy_at_gmail.com)
Date: Mon Jun 20 2011 - 08:54:13 CDT

Hi there,

These two pages contain information you need:

http://www.ks.uiuc.edu/Research/namd/2.6/ug/node28.html

http://www.ks.uiuc.edu/Research/namd/2.7b1/ug/node49.html#SECTION000123700000000000000

___________________________

Yi (Yves) Wang
Duke University

2011-6-208:03 Massimiliano Porrini д

> 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
>

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