cis peptides

Tristan J. Fiedler M.Sc. tfiedler at NEWSSUN.MED.MIAMI.EDU
Thu Jul 30 09:55:19 EST 1998


Hello Xplorers,

I have searched the newsgroup archive, and the online manual to shed
light on refining a non-proline cis peptide bond.

It is necessary to use a 1. Patch statement 2. redefine top/par files 3.
use the following *alone* (ie. without any patch/toppar modification:

dihe (name ca and resid <??>) ( name C and resid <??> )
( name N and resid <??+1>) ( name CA and resid <??+1> ) 1250.0 2 180.0
end

Use the actual residue numbers for <??> and <??+1>



Thank you very for any information.

-- 
Tristan J. Fiedler, M.Sc.
Graduate Program in Biochemistry & Molecular Biology
University of Miami Medical School

email: tfiedler at newssun.med.miami.edu



More information about the X-plor mailing list