Constrain centers of mass for selected atoms

From: michael_at_perfect-kreim.de
Date: Thu Feb 07 2008 - 04:12:39 CST

Hello,

is it possible to constrain the center of mass of an atom-selection in
NAMD?
I am looking for a way to hold my protein in the middle of my
simulation-box during simulation.

For charmm there exists a command
CONS HMCM FORCe real [WEIGhting] reference-spec atom-selection
http://www.charmm.org/old_site/document/Charmm/c30b1/cons.html#%20Center%20of%20Mass

In principle this is what I need.

Can you please give me any hinds how to do this in NAMD?

Thanks a lot and best regards,

Michael

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