[AMBER] fix the positions of EP

From: William Flak <williamflak.yahoo.com>
Date: Fri, 8 Oct 2010 07:56:50 -0700 (PDT)

Dear AMBER
I am trying to understand EP in depth. I couldn't find a reference except the extra_pts.f file.
If you don't mind, why you fix the position of EP in the local frames as written in extra_pts.f
!+ fix the positions of EP in the local frame/coord depending
!+ on the kind of frame and atom types.

We use parameters for the EP. don't we? so these parameters will manage the position of EP regarding to the attached atom.
Fixing here means something else?
Please, help me or direct me to a reference.
Thanks in advance
W. Flak


      

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Received on Fri Oct 08 2010 - 08:00:05 PDT
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