AMBER Archive (2007)

Subject: AMBER: S-nitrocysteine

From: Anthony Cruz Balberdi (acb15885_at_uprm.edu)
Date: Wed Jun 13 2007 - 08:12:00 CDT

Hi Users:
I am planning to study a protein that have a S-nitrocysteine. I have been search for parameters over the internet with
out success. Then I start a RED job to find the charges for the central aminoacid unit using the example in the
RED-III tutorial. The results: output2_m1.sm: ESP relative RMS (SQRT(chipot/ssvpot)) 0.17655
output2_m1: ESP relative RMS (SQRT(chipot/ssvpot)) 0.17483 . I will use many of the parameters for the cysteine
central residue but there is some bonds, angles, and dihedral that I need to add to the residue. How I could find
those values??? Any one have the parameters form this residue??
 
Best regards,
 
Anthony

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        Antes ahora y siempre COLEGIO
        University of Puerto Rico at Mayaguez
        http://www.uprm.edu
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