[gmx-users] WARNING concerning lipid.itp

Wissensbund at gmx.net Wissensbund at gmx.net
Mon Jan 28 16:03:42 CET 2008


I am a gmx-newcomer and I try to start simulating
bilayer membrane systems for which I need to include
the lipid.itp of Thieleman into my .top-file.
After processing grompp I get one WARNING concerning
the lipid.itp...

WARNING 1 [file "lipid.itp", line 703]:
   Overriding LJ-14 parameters,
   old: 0.0026171 7.4158e-07 0 0
   new: OW OW 1 3.31400e-04 3.36000e-07

Could someone please explain, why this happens?
So, LJ is the Lennard-Jones parameter, but why
gmx has to change it, and why this is necessary
only for line 703 again and again??

Thanx for your help in advance.
newcomer Mark

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