[AMBER] How to use AMBER parameters for modified amino acids

From: Symon Gathiaka <smg0020.tigermail.auburn.edu>
Date: Wed, 20 Mar 2013 21:27:37 +0000

Dear all,

I have amber parameters (from a paper) for a modified amino acid in a protein of interest but could not find any help from the tutorials how to go about creating the inputs for sander.

What am asking is, since i have the library file, how do i go about creating the force field modification file (.frcmod) to load into tleap considering that its only for one modified residue in a peptide?

Thanks,
Symon




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Received on Wed Mar 20 2013 - 14:30:03 PDT
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