Re: [AMBER] MMPBSA.py and cpptraj error

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 18 Jun 2013 07:54:16 -0400

On Tue, Jun 18, 2013, Sorensen, Jesper wrote:

> Warning: Box information present in parm but not in trajectory.

This is the key: your prmtop file and trajectory files are not in sync
with each other. If you have done any stripping, or otherwise changed
to a non-periodic trajectory file, you need to create a prmtop file that
matches the trajectory.

...dac


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Received on Tue Jun 18 2013 - 05:00:03 PDT
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