RE: Fixed COM

From: Parisa Akhski (Parisa.Akhshi_at_chem.queensu.ca)
Date: Mon Jul 11 2011 - 13:52:21 CDT

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Hi,

Below, please find the instruction to fix the atoms if you know the atom numbers of the COM of your molecule:

http://www.ks.uiuc.edu/Research/namd/2.6/ug/node28.html

Parisa

-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu on behalf of Ali Khanlarkhani
Sent: Mon 7/11/2011 2:30 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Fixed COM
 
Dear all,

I want keep center of mass of the molecule fixed in the MD simulation, can I do
this?

Thank you,
Regards,
Ali Khanlarkhani

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