[AMBER] Generating topology files for non standard amino acid residue

From: Matthew D Antalek <mantale1.binghamton.edu>
Date: Sun, 12 Feb 2012 21:41:19 -0500

Hi all,


    I am having a bit of trouble with getting AMBER to recognize the
topology file for a non standard amino acid residue I have created. I was
able to create the parameter-topology file (.prmtop) but I do not
understand how to create some other files so that the system can recognize
the residue as an amino acid residue. I have tried to work with this
tutorial : http://ambermd.org/antechamber/pro4.html but I do not have
access to gaussian. I was able to generate the parameters for the molecule
using GAFF, so if anyone knows how to get the system to register the
molecule as an amino acid that would be great.

Thanks,
Matt
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Feb 12 2012 - 19:00:02 PST
Custom Search