From: Fangqiang Zhu (fzhu_at_ks.uiuc.edu)
Date: Tue Nov 18 2003 - 18:24:46 CST
Unfortunately, NAMD can't display the breakdown of the angle energy. In
principle you could calculate it from the trajectory, but it will be very
complicated
if you want that energy for the whole system...
Zhu
Cosmin ROMAN wrote:
> Hello,
>
> Can namd display the Urey-Bradley contribution to the ANGLE energy? As it is,
> it only displays the sum, i.e. Ktheta(Theta - Theta0)**2 + Kub(S - S0)**2,
> and I would really like to have them separately.
>
> Thanks,
> Cosmin.
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