[gmx-users] opls

singh singh at biophysik.chemie.uni-dortmund.de
Fri Sep 1 19:31:09 CEST 2006

Dear Users,

I am trying to simulate a capped pentapeptide using OPLS force field.
Pdb2gmx runs successfully , however grompp gives following warnings

WARNING 1 [file "topol.top", line 632]:

  No default Ryckaert-Bell. types, using zeroes

WARNING 2 [file "topol.top", line 857]:

  No default Ryckaert-Bell. types, using zeroes


How should I proceed if these parameters are missing in OPLS. 




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