[AMBER] Antechamber

From: Buback, Clayton (S&T-Student) <"Buback,>
Date: Wed, 12 Sep 2012 19:25:39 +0000

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
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Received on Wed Sep 12 2012 - 12:30:03 PDT
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