From: Chen, Zhihong (chenz2) (chenz2_at_mail.uc.edu)
Date: Thu Oct 07 2010 - 09:49:45 CDT
Hi, guys,
I want to calculate some energies in namd, but i am not sure if i can do that or not. The energy i want to calculate is like the attractive part and repulsive part of lj vdw interaction between selected groups, the dipole correction of the interaction energy, and local electrostatic interaction energy! NAMD does not calculate these energies, so can i add subroutine to calculate these energy or calculate them by changing the force field? Thanks
jackie
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