[gmx-users] KALP15 In DPPC
shima_arasteh2001 at yahoo.com
Sun Aug 19 00:20:24 CEST 2012
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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