From: Niklaus Johner (nij2003_at_med.cornell.edu)
Date: Thu Mar 01 2012 - 11:21:53 CST
Dear NAMD users,
I am trying to find out what the internal units in namd are. I need the information because I am using the PLUMED plugin which uses these units in its input files. I couldn't find a definite answer anywhere. I guess the units stated in section 3.2.3 of the user manual are not the units used internally (they are not consistent).
>From what I could gather (PDBVELFACTOR and TIMEFACTOR) it seems that the length unit is [0.997 Angstrom] and the time unit is [48.8 fs]. Is that right? And what about the other units (mass, temperature, charge)? A table with the units in the user guide would be welcome.
Thanks!
Niklaus
Niklaus Johner
Weill Cornell Medical College
Harel Weinstein Lab
Department of Physiology and Biophysics
1300 York Avenue, Room D-501
New York, NY 10065
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