AMBER: minimization

From: <blakrose.gazeta.pl>
Date: Fri, 26 Aug 2005 14:20:25 +0200 (CEST)

Dear Amber Users!


I have docked a ligand into my protein (autodock). Now I have got
lot of complexes to minimize. In some number of complexes
minimization is not doing well. Here is the main problem:

After minimization I get BOND=***** but amber menaged to write the
coordinates. I visualized it. It seems like a huge force make two
atoms bond very large. The bond is even as large as protein. Could
it be my mistake or is it amber making it? I don't know what is
happening.

Please help me.
Thanks in advance!!!

Pawel



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Received on Fri Aug 26 2005 - 13:53:00 PDT
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