VMD-L Mailing List

From: Ekta Khurana (ekta_at_vitae.cmm.upenn.edu)
Date: Mon Feb 07 2005 - 10:28:24 CST

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