[AMBER] About position restrains

From: Pablo Galaz-Davison <Pabloglald.hotmail.com>
Date: Wed, 22 Nov 2017 20:25:20 +0000

Dear Amber users,

I am having a question regarding how the position restraint potential is calculated. As I understand, it is an harmonic potential as described in the manual, which exponentially increases as does the RMSD to reference structure. My question is if that RMSD is mass weighted (as seem to be most default settings for RMS calculations in amber) or just plain RMSD.


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Received on Wed Nov 22 2017 - 12:30:02 PST
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