[AMBER] Ptraj crashes and Hbond analysis

From: Kamali Sripathi <ksripath.umich.edu>
Date: Tue, 22 Mar 2011 12:43:37 -0400

Dear AMBER users,

I have two questions about ptraj functions.

1) I'm experiencing a problem where I use ptraj scripts to analyze several
simulations of structures very similar to each other. The scripts mostly
work, but when I use this script for a certain few structures ptraj
consistently crashes. Has anyone else experienced this?

2) Could someone please point me to one of the emails that explain the
"time" keyword in the "hbond" command? I know there are several in-depth
explanations of this facility in the archive, but I haven't been able to
find them.

Thank you all in advance,

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Received on Tue Mar 22 2011 - 10:00:03 PDT
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