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AMBER Archive (2009)Subject: [AMBER] ptraj quasiharmonic analysis
From: Neha Gandhi (n.gandhiau_at_gmail.com)
Dear List,
I have the following script
trajin xx.mdcrd 1 50 1
How do I interpret the output in terms of -TdeltaS in kcal/mol? Can you
Eigenvector file: MWCOVAR
Did I miss something out? What values represent the entropy in kcal/mol?
-- Regards, Neha Gandhi, School of Biomedical Sciences, Curtin University of Technology, GPO Box U1987 Perth, Western Australia 6845 _______________________________________________ AMBER mailing list AMBER_at_ambermd.org http://lists.ambermd.org/mailman/listinfo/amber
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