Hi Dan,
I didn't tell you - the pdb file of the x-ray structure loads perfectly
in Chimera and VMD.
John
-----Original Message-----
From: Daniel Roe [mailto:daniel.r.roe.gmail.com]
Sent: Wednesday, June 16, 2010 2:54 PM
To: AMBER Mailing List
Subject: Re: [AMBER] ptraj rms error
On Wed, Jun 16, 2010 at 11:30 AM, Beale, John <John.Beale.stlcop.edu>
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?
-Dan
--
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ 08854
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Received on Thu Jun 17 2010 - 05:00:03 PDT
