From: Alexander A. Vakhrushev (makaveli.lcf_at_gmail.com)
Date: Fri Dec 05 2008 - 07:51:06 CST
Would you please help, what actual factor should be used to translate
NAMD's energy from "ccal*mol^-1" to "kJ*mol^-1"?
And what is the constant in Coloumb energy: U=f*q^2/r?
00044 #define COLOUMB 332.0636
deffined in common.h?
-- Best regards, Dr. Alexander Vakhrushev Institute of Applied Mechanics Dep. of Mech. and Phys.-Chem. of heterogeneous media UB of Russian Academy of Sciences 34 T. Baramzinoy St. Izhevsk, Russia 426067
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