[gmx-users] KALP15 In DPPC
jalemkul at vt.edu
Sun Aug 19 02:17:57 CEST 2012
On 8/18/12 6:20 PM, Shima Arasteh wrote:
> 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?
The second. You shouldn't have any OW-OW terms coming from lipid.itp so you
have not correctly removed the lines mentioned in the tutorial.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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