From: jnsong (jnsong_at_itcs.ecnu.edu.cn)
Date: Wed Jun 22 2011 - 08:36:40 CDT
I want to get energy of a structure in vacuum using NAMD. But I have no
idea how to do this in NAMD. In AMBER, one just set the threshold of
cutoff to be 999 and without box, the method has described in the
tutorial of AMBER. But to NAMD, I haven't found any method to obtain
this energy like in AMBER. So I come here seeking some help.
Thanks in advance!
-- Jianing Song Ph. D. Student Institute of Theoretical and Computational Sciences Dept. Phys. East China Normal University 200062 3663 North Zhongshan Road Shanghai, P. R. China
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