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AMBER Archive (2005)Subject: AMBER: memory_mm_pbsa
From: Wei Chen (gtg553p_at_mail.gatech.edu)
Dear Amber users,
I am trying to use mm_pbsa to calculate free energy for protein molecules.
So far, I got enthalpy results well. But when I calculated entropy using nmode,
Total memory required : 409700851 real words
Total memory required : 46084583 integer words
Maximum nonbond pairs 45462879
I am wondering whether I can find a way to get around this problem.
Thanks!
Wei Chen
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