AMBER: Problem with leaprc

From: yen li <>
Date: Thu, 28 Jun 2007 20:27:52 -0700 (PDT)

Hi All,
  I am working with leaprc.ff03. Here i notice while running tleap that two
parameter files parm99.dat & frcmod.ff03 are loaded. I also notice that
frcmod.ff03 contains some duplicate torsion parameters e.g. N-CT-C-N (i.e.
N-CT-C-N parameters occur both in parm99.dat & frcmod.ff03). Does it mean
that the original parameters are overwritten or they both are used
together in summation. Also a possible bug, in parm99.dat occurs CT-CT-N
-C and in frcmod the same occurs as C -N -CT-CT.

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Received on Sun Jul 01 2007 - 06:07:28 PDT
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