Re: [AMBER] unexpected behavior of ambpdb

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 3 Jun 2011 12:54:40 -0400

On Jun 3, 2011, at 11:16 AM, Brian Radak <radak004.umn.edu> wrote:
>
> O1P --> OP1
> O2P --> OP2

ambpdb is trying to make atom names compatible with pdb version 3, so that prmtop files created before ff10 for nucleic acids would have the proper names.

You can turn off the name conversion with the -aatm flag, as I recall.

...dac

>


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Received on Fri Jun 03 2011 - 10:00:03 PDT
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