Re: [AMBER] Problem compatibility pdb in tleap

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 23 Jan 2013 11:29:19 -0700

Hi,

On Wed, Jan 23, 2013 at 11:22 AM, Stefan Knippenberg
<Stefan.Knippenberg.umons.ac.be> wrote:
> The strange issue here is that the pdb itself was generated from the output of amber

How did you generate the PDB file from the topology and restart files?
With ambpdb, ptraj, or some other program? Does your PDB file have TER
cards in the proper places to separate out molecules? I've seen
similar errors pop up with misplaced TER cards.

-Dan

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Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
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Received on Wed Jan 23 2013 - 11:00:02 PST