escaping atoms....

From: Amesh Patel <>
Date: Wed 09 May 2001 15:36:30 +0100

i have just tried to do an energy minimization of a protein + ligand in water (in constant volume) and the minimization failed due to the escaping of atoms. does anyone know why this happened and what i could do so it doesn't happen again? thanks.
Received on Wed May 09 2001 - 07:36:30 PDT
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