you must give more details when you ask for help.
What version of AMBER are you using?
Is this a periodic calculation, is it gas phase,
is it GB solvation?
Carlos
----- Original Message -----
From: <Frederico.Miranda.ibmb.uib.no>
To: "AMBER Reflector" <amber.scripps.edu>
Sent: Tuesday, November 11, 2003 7:47 AM
Subject: AMBER: Protein Rotation
>
> Hye, I made a MD simulation for a protein, and used carnal to determine
RMS
> for each residue, but my protein is rotating during the MD, so I have a
great
> discrepancy in the values. Is there a way that I could remove the effect
of
> the rotation when doing the calculation?
>
> Thank you.
>
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Received on Tue Nov 11 2003 - 13:53:01 PST
