Re: [AMBER] ptraj rms error

From: Daniel Roe <>
Date: Wed, 16 Jun 2010 15:53:32 -0400

On Wed, Jun 16, 2010 at 11:30 AM, Beale, John <> wrote:
> The "readAmberRestart" error message would seem to indicate that the
> program is looking for a restart file. I thought that ptraj would use a
> pdb file as input to the reference command.

Exactly. This indicates that Ptraj did not identify str.pdb as a pdb
file for some reason. Does this file load up correctly in other
programs? How was it generated?


Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ   08854
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Received on Wed Jun 16 2010 - 13:00:03 PDT
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