hello:
i want to add a new energy potential(12-3 form VDW) to the system in
AMBER8. i tried to understand how AMBER gets system's energy and force.
In the 'subroutine bond 'it seems AMBER uses the information from several
array such as IX XX IB JB to caculate energy and force.
I guess these array get values from topology file but I don not know
which source file does this work.
I am not very simlar with AMBER and I will be very appreciated for any
advice.
caoch
BIO. Center Tokyo Institute of Technology
--
caoch.cherry.bio.titech.ac.jp
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Received on Sat May 14 2005 - 18:53:00 PDT
