VMD-L Mailing List

From: gökçe ayþe güven (gguvenster_at_gmail.com)
Date: Tue May 01 2012 - 16:14:24 CDT

Hi all,

I have 400ns simulation for 1mrp protein system and after 140ns half of my
protein system moves out of the PBC cell, for that reason, -for specific
frames- distance between 2 selected atoms (Fe iron and Glu residue CA atom)
jumps 60 angstrom in 2ps which is impossible. In short, I want to keep my
protein at the center of my PBC cell for all frames. I tried moveby,
pbctools, etc. but they didn't work. Could anybody help me please? 

-- 
Gökçe Ayşe Güven