[AMBER] Thermodynamic Integration

From: Shruti Koulgi <koulgi.shruti.gmail.com>
Date: Tue, 12 Mar 2013 17:55:47 +0530

I am following the tutorial on "Small molecule binding to T4-lysozyme L99A"
which uses thermodynamic integration. During execution numgroup (-ng) is 2
and it is possible to use more than 2 cpu's.

Thanks & Regards,
Shruti
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Received on Tue Mar 12 2013 - 05:30:03 PDT