Re: [AMBER] Antechamber

From: Buback, Clayton (S&T-Student) <"Buback,>
Date: Tue, 18 Sep 2012 17:34:07 +0000

David, The mol2 file for my molecule is attached. I apologize for re-submitting my question--I overlooked the first response. Thank you! -Clayton ________________________________________ From: David A Case [case.biomaps.rutgers.edu] Sent: Thursday, September 13, 2012 7:56 AM To: AMBER Mailing List Subject: Re: [AMBER] Antechamber On Wed, Sep 12, 2012, Buback, Clayton (S&T-Student) wrote: > > 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" Can you post your mol2 file? We need to see if we can reproduce the problem. ...thx...dac _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber

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Received on Tue Sep 18 2012 - 11:00:04 PDT
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