[gmx-users] (no subject)

[pqchen at eyou.com]

Dear David:
  From the literature I know the torsion parameters of NA-CW-CT-CT in
fourier form is V1=2.344 kcal/mol, V2=-0.076 kcal/mol, V3=-1.224 kcal/mol,but
I
don't know the parameters of V0. So I can't sucessfully translate the OPLS
parametes to RB parameters.
  Can I use the fourier form parameters in the topol file?
  For example:
; ai   aj   ak  al funtc  .................
  NA   CW   CT  CT  1     0.000  9.814   1  180.000  -0.318   2	0.000  5.125  
3
  Thank you for help in advance!
  Best wish!
                                                              Peiquan Chen





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