AMBER Archive (2003)

Subject: AMBER: Big system in Gibbs

From: ENikitina (enikitina1_at_yandex.ru)
Date: Thu Jul 17 2003 - 01:01:23 CDT

Dear Amber users,

I have problem with free energy calculations in Gibbs. My system consists of 17000 atoms and I can’t run my simulation because of problems with number of non-bonded pairs.

Does anybody know, is it possible to fix this problem?

Thanks in progress,
Dr. E.Nikitina

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