[gmx-users] use both LJ and buckingham potential for nonbonded potential

Dongsheng Zhang dong at pampas.chem.purdue.edu
Mon Jul 10 00:39:11 CEST 2006

Dear gmx users,

I find a force field that uses both LJ and Buckingham potential for
different nonbonded potentials. I would like to use it in gromacs. I
have try it, gromacs gave me a fatal error:
ERROR 1 [file "ffpolymernb.itp", line 49]:
  Trying to add Buck.ham (SR) while the default nonbond type is LJ (SR)

Does gromacs have any reason to prevent using two different forms for
nonbonded potential? if not, please tell me how to remove the error
message.  Thank you very much!


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