Re: [AMBER] Trouble obtaining force field parameters via Antechamber

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 5 Mar 2014 13:58:56 -0500

On Thu, Mar 06, 2014, Hyun-seok Kim wrote:

> However, I get correct number of bonds but everything else is missing.

??? Can you be more specific about the error? What you tried? What kind
of file has "everything else missing"? When I use the following command:

    antechamber -fi pdb -i EC_3.pdb -fo mol2 -l foo.mol2

It seems to work fine.

But first, edit your pdb file to have a non-blank residue name (columns 18-20
of the pdb file). Having a blank residue name probably messes up lots of
software (likely including parts of Amber).

...dac


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Received on Wed Mar 05 2014 - 11:00:05 PST
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