Re: amber-developers: Problem in ptraj when using mmpbsa

From: Thomas E. Cheatham, III <>
Date: Tue, 14 Mar 2006 16:05:32 -0700

> This is what I did. Read traj file using ptraj. Strip out the atoms I
> want. Write out a new smaller traj file. The new smaller traj file is

It is not clear what "garbage" means. Did the user specify the keyword
"nobox" on the trajout line to avoid dumping box information or was box
information wanted? Was the first frame OK and all others corrupted
(usually due to presence/absence of expected/unexpected box information)?

Received on Wed Apr 05 2006 - 23:49:40 PDT
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