Energy conversation

From: Alexander A. Vakhrushev (
Date: Fri Dec 05 2008 - 07:51:06 CST

Hi all!

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?
Is it
00044 #define COLOUMB 332.0636
deffined in common.h?

Thank you!

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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