AMBER: Entropy calculations using NMODE

From: saurabh agrawal <>
Date: Sat, 2 Feb 2008 12:48:24 +0530 (IST)
Dear Amber Users,

I have done Nmode calculations and found TSTOT values. But I am not able to understand the value I got through TSTOT is (-T deltaS)  or (T deltaS) .   In some previous references authors have used DeltaG (of binding) = Delta H - (TSTOT)  and in some references it is DeltaG (of binding) = Delta H - (-TSTOT).

Kindly reply me in this regard.

Thanking you in advance.


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