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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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