[AMBER] RED Server for Altered Amino Acid

From: Edward Kalkreuter <rekalkre.ncsu.edu>
Date: Wed, 5 Aug 2015 22:56:11 -0400


I have been trying to generate parameters for a deprotonated serine with
the PyRED server.
I am relatively new to PyRED, but I have had other things work.

I have read the tutorial (
http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#26), and I
generated what I believe to be the correct PDB for a fragment-based
approach (attached). I also added a project.config file (attached), but I
am not sure why this does not give me the correct files (it does not appear
to recognize this as 3 separate fragments). Any help would be greatly
appreciated, and I hope I am missing something simple.

My job ID was P24863.

Thank you,

Edward Kalkreuter

Edward Kalkreuter
PhD Candidate, Williams Lab
Department of Chemistry
North Carolina State University

AMBER mailing list

Received on Wed Aug 05 2015 - 20:00:03 PDT
Custom Search