From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Tue Oct 05 2010 - 03:38:27 CDT
You will have to be much more specific than that if you want help.
What kind of energy term is it? A pair potential? Long or short range?
Many-body? Does it apply to many atoms, i.e. do you need high parallel
On 4 October 2010 21:11, Chen, Zhihong (chenz2) <chenz2_at_mail.uc.edu> wrote:
> I need to calculate some specified energy which namd doesn't have, do i would need to change the force field fundenmantally or add some subroute to calculate the energy i want. Would u tell me can i do that in namd and how to do it?
> thanks cheers
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