AMBER Archive (2003)

Subject: AMBER: reporting atoms clashed during simple energy minimization

From: jackie_at_ibms.sinica.edu.tw
Date: Tue Sep 09 2003 - 05:19:36 CDT

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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