AMBER: reporting atoms clashed during simple energy minimization

From: <jackie.ibms.sinica.edu.tw>
Date: Tue, 9 Sep 2003 18:19:36 +0800 (CST)

Hello,

I use sander for simple energy minimization (without molecular dynamic
simulation).
Is there any method that can report the atoms clashed during the
minimization?
For example, if the distance of the non-bonded atoms is less than 1.5
A, it can report the warning.

Thanks.

Jackie Chen


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Received on Tue Sep 09 2003 - 11:53:05 PDT