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
Frederico.Miranda.ibmb.uib.no 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.
>
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--
Volodymyr Nechiporuk-Zloy
Institute of Molecular Biotechnology <http://www.imb-jena.de>
Dept. Single Cell and Single Molecule Techniques
<http://www.imb-jena.de/www_kog/>
Beutenbergstrasse 11
D - 07745 Jena
Germany
Phone: *49 3641 656169
Fax: *49 3641 656166
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Received on Tue Nov 11 2003 - 14:53:01 PST
