Hello,
I am trying to run a novel, non-biomolecule system containing 72 atoms. Following the Antechamber tutorial, I have successfully created a mol2 file. However, when I run the parmchk command, it returns this error:
"Memory allocation error on *atom"
I am running on a cluster that should have a very large amount of computing power. Additionally, this is returned instantaneously, so no calculation is being attempted.
Any help would be greatly appreciated!
Thank you,
-Clayton Buback
Clayton Buback
Chemical Engineering with a Biochemical Emphasis,
Missouri University of Science & Technology
President, International Society for Pharmaceutical Engineering
Secretary, Scrubs Pre-Health Society
Public Relations Coordinator, International Students Club
Pledge Education Teaching Assistant, Alpha Chi Sigma
cbnf6.mail.mst.edu<mailto:cbnf6.mst.edu>
(314)584-0002
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 12 2012 - 12:30:03 PDT
