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
