[gmx-users] WARNING concerning lipid.itp

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


Hello.

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



More information about the gromacs.org_gmx-users mailing list