Re: [AMBER] Fwd: Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...

From: Daniel Roe <>
Date: Thu, 29 Dec 2011 10:49:24 -0500


On Thu, Dec 29, 2011 at 1:27 AM, rosy stone <> wrote:
> it dosent show any header to the mdcrd file that dosent run in ptraj.
> can we edit the mdcrd file.

A well-formed Amber trajectory file needs to have a title line as its
first line. It's possible to generate a trajectory without a title
line if for example you ran sander with the 'append' option on without
a trajectory file already present. Manually adding a title to the
trajectory should work fine.


Daniel R. Roe, PhD
Postdoctoral Associate
BioMaPS Institute, Rutgers University
610 Taylor Road
Piscataway, NJ   08854
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Received on Thu Dec 29 2011 - 08:00:05 PST
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