VMD-L Mailing List

From: Giovanni Bellesia (giovanni.bellesia_at_ucd.ie)
Date: Mon Feb 07 2005 - 13:19:24 CST

Hi,
is it not the same thing ?
when you pull away one center of mass from the other one, giving to it
a velocity v, it's like
you simultaneously pull away both with velocities v/2 and -v/2
respectively
Giovanni

> Hello all,
> I want to do SMD by pulling the center of mass of two groups of
> atoms away from each other (two peptide rings). The way SMD is
> currently implemented in NAMD I can only pull one away from the
> other. Could someone suggest a solution for this? Can I use a TCL
> script for the purpose?
> Thanks in advance,
> Ekta
>
>