AMBER Archive (2006)

Subject: AMBER: nmode different units

From: cristian obiol (c.obiol_at_qf.ub.es)
Date: Wed Apr 05 2006 - 05:47:04 CDT

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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