[gmx-users] opls

[singh]

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.     ------------------------------------------------- University of Dortmund Department of Chemistry Physical Chemistry I  -  Biophysical Chemistry Otto-Hahn Str. 6 D-44227 Dortmund Germany Office:   C1-06 room 176 Phone:  +49 231 755 3916 -------------------------------------------------

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