AMBER: Entropy calculations using NMODE

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From: saurabh agrawal <imsam100.yahoo.co.in>
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.

saurabh

Unlimited freedom, unlimited storage. Get it now ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber.scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu Received on Sun Feb 03 2008 - 06:07:35 PST