amber-developers: more on linear angles.

From: James W. Caldwell <jimc.stanford.edu>
Date: Mon, 14 Jun 2004 17:03:26 -0700

I setup a simple test: F-O-F, linear, with a linear force constant.
the angle energy should be zero, right? well it's 0.2 kcal/mole
in both sander7 and sander8. I've attached a tar file with an input,
prmtop, prmcrd and the sander8 output.

Any ideas?

thanks,
jim

-- 
James W. Caldwell					650-724-5322
Department of Chemistry
Clark Center, S2.2, Rm S294
Stanford University
Stanford, CA 94305-5447



Received on Wed Apr 05 2006 - 23:50:01 PDT
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