[gmx-users] KALP15 In DPPC

Shima Arasteh shima_arasteh2001 at yahoo.com
Sun Aug 19 00:20:24 CEST 2012

Dear all,
I'm doing the protein-lipid membrane simulation by Justin's tutorial of KALP15 in DPPC.
I modified the force field as said in tutorial. Next in grompp step I get a warning as below:

WARNING 1 [file ffnonbonded.itp, line 3097]:
  Overriding LJ-14 parameters.

  old: 0.00261735 2.63413e-06 0.00261735 2.63413e-06 
  new: OW    OW     1 3.31400e-04  3.36000e-07

Such a warning is not mentioned in tutorial, so I have missed a point! Any of the old or new line of OW OW should be erased?

Thanks for your suggestions.


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