AMBER: nmode different units

From: cristian obiol <c.obiol.qf.ub.es>
Date: Wed, 5 Apr 2006 12:47:04 +0200

Dear AMBER comunity,
I am running a NMA with nmode in amber-7,
I have a problem understanding the values of each lig, rec and com .outs and
the final statistics.out files.
In the final statistics output the unit for TStrans,rot,and vib are Kcal/mol,
but, which are the units for each snapshot in the lig,rec and com files ?
The last ones are multiplied by a 3.3 factor.

Thanks in advance

Cristian Obiol
Biological Systems Modelling and Drug Design
Research Group
University of Barcelona
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Received on Wed Apr 05 2006 - 21:28:16 PDT
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