Re: [gmx-users] lipid.itp LJ-1,4 values involving water

2006-05-03 Thread Erik Lindahl
Hi, They were almost certainly auto-generated from the standard parameters. Cheers, Erik On May 3, 2006, at 8:44 PM, [EMAIL PROTECTED] wrote: Does anyone know why lipid.itp contains [pairtypes] LJ-1,4 values including lipid atoms and OW or HW? I can understand their inclusion in [nonbond_

[gmx-users] lipid.itp LJ-1,4 values involving water

2006-05-03 Thread chris . neale
Does anyone know why lipid.itp contains [pairtypes] LJ-1,4 values including lipid atoms and OW or HW? I can understand their inclusion in [nonbond_params], but it seems as if this would never be required in [pairtypes]. *** In case anyone else is trying to merge lipid.itp and OPLSAA, here is what