Re: AMBER: Protein Rotation

From: volodya <>
Date: Sun, 12 Oct 2003 15:40:07 +0200

Dear Frederico Miranda,

Can you write your input file. I am looking for my work. I asked AMBERs
users before about this, but, unfortunately, I have not received answer.

Sincerely yours,

volodya wrote:

>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.
>The AMBER Mail Reflector
>To post, send mail to
>To unsubscribe, send "unsubscribe amber" to

Volodymyr Nechiporuk-Zloy
Institute of Molecular Biotechnology <>
Dept. Single Cell and Single Molecule Techniques 
Beutenbergstrasse 11
D - 07745 Jena
Phone: *49 3641 656169
Fax:      *49 3641 656166
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue Nov 11 2003 - 14:53:01 PST
Custom Search