[gmx-users] Re:gmx-users digest, Vol 1 #552 - 2 msgs

pqchen at eyou.com pqchen at eyou.com
Sun Dec 29 14:13:56 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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