Re: [AMBER] ptraj rms error

From: case <>
Date: Thu, 17 Jun 2010 09:52:11 -0400

On Thu, Jun 17, 2010, Beale, John wrote:
> The pdb file came from the pdb database and is the x-ray structure. This
> all worked OK on AmberTools 1.2, but 1.4 seems different.

What is the pdb code? Have you tried stripping out the top part, so that it
begins with an ATOM card? I'd also appreciate it if it's easy to double check
that exactly the same file works in version 1.2 and fails in version 1.4. But
if we know exactly what file it is, we can try to debug.


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Received on Thu Jun 17 2010 - 07:00:04 PDT
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