[gmx-users] fixing protein during energy minimization

Vaibhav Saraf saraf.vaib at gmail.com
Mon Feb 5 15:08:56 CET 2007

Hi all,

Can we fix the protein along with its water of crystallization, while
doing energy minimization with some additional water molecules? if
yes, how?

Vaibhav saraf
Dept of Chemistry
IIT Bombay

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