From: _at_huji.ac.il
Date: Tue Dec 26 2006 - 04:44:42 CST
Dear NAMD developers
I'm trying to find some function that allows to recenter my peptide in a
PBC every couple of frames during the simulation. I want to be able to
preclude center of mass motion due to external forces as random noise in
Langevin dynamics. Another option is to use some tool (VMD for example)
in order be able to recenter the peptide after minimization in the
trajectory. I hope you will be able to help me with this issue. I will
appreciate it very much. Looking for your answer as soon as possible.
Thank you very much for your help
Regina
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