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AMBER Archive (2000)Subject: MD-problem
From: bernd wellenzohn (bernd.wellenzohn_at_uibk.ac.at)
Dear Amber Users!!
I am running a MD simulation with sander and after 1,5 ns the
COORDINATE RESETTING (SHAKE) WAS NOT ACCOMPLISHED WITHIN 3000
I am not sure wheter this is a Computer problem because the error occurs
Perhaps someone has the same problem and solved it!!!
Thanks
Bernd Wellenzohn
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