geometric mean

From: Leandro Martinez (lmartinez_at_iqm.unicamp.br)
Date: Thu Jan 29 2004 - 07:53:58 CST

   I am a new NAMD user and I would like to use OPLS
parameters in my simulations. Everything seems fine, but
the parameter file with the OPLS force field in the CHARMM
format contains the keyword COMB GEOM which NAMD does not
recognize. It is possible to use geometric means for the
sigma parameters with NAMD? Otherwise, how could I use the
OPLS force field? Any sugestions? Thank you all,
  Leandro Martinez.

NONBONDED nbxmod 5 atom cdiel switch vatom vdistance
vswitch -
cutnb 14.0 ctofnb 12.0 ctonnb 11.5 eps 1.0 e14fac 0.5 wmin
1.5

COMB GEOM

C135 0.00 -0.066000 1.9643086 0.00 -0.033000
1.9643086
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