AMBER Archive (2008)

Subject: AMBER: nmode units

From: Arturas Ziemys (
Date: Wed Sep 03 2008 - 17:28:44 CDT


I want to clarify units in the output of mmbsa and nmode. From mmpbsa
enthalpy calculations one gets kcal/mol. So, nmode run separately to
calculate entropy produce output in kcal/mol OR cal/mol ( it means it is
already T*S values) ?



Arturas Ziemys, PhD School of Health Information Sciences University of Texas Health Science Center at Houston 7000 Fannin, Suit 880 Houston, TX 77030 Phone: (713) 500-3975 Fax: (713) 500-3929

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