look at rdparm.f, and also look at the amber web page where
the prmtop format is given in detail.
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling.stonybrook.edu
===================================================================
caoch.cherry.bio.titech.ac.jp wrote:
>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
>
>
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Received on Sat May 14 2005 - 19:53:00 PDT
