VMD-L Mailing List

From: Jevgenij Raskatov (jraskato_at_ucsc.edu)
Date: Fri Mar 06 2015 - 14:01:48 CST

Dear all,

I just ran a Maxwell-Boltzmann energy distribution following the script
that is provided with the NAMD tutorial, and the average temperature I am
getting is far too low, and not at all the 310K I had specified. The script
does work just fine on the tutorial example (Ubiquitin). Any idea at what
step I might be making an error?

Thanks 

-- 
Dr. Jevgenij A. Raskatov
Assistant Professor in Chemistry and Biochemistry
Tel.: +1-831-459-2978
Department of Chemistry and Biochemistry
Physical Science Building 356
1156 High Street
Santa Cruz, CA
95064 USA