[gmx-users] (no subject)

pqchen at eyou.com pqchen at eyou.com
Mon Dec 30 14:43:35 CET 2002


Dear gmx-users:
  I am now making the topol file of my molecule manually!I can easliy to
make
the atoms,bonds.angels.dihedrals section of the molecular topol file,but
when
it come to pairs i didn't understand how to definition of it(I use the
opls-aa
force field)£¡From the gromacs user manual,I know that opls force field
calculate the 1-4 interations by scaling.Does it mean the "pairs" section
can
be empty?
  Thank you for any help!
  Best wish!
                                                              PeiQuan Chen





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