[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.

The topology and gro files are attached herewith

 

Regards,

Gurpreet

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