Re: [gmx-users] Fatal error with grompp(with detail process)

2008-11-28 Thread Jenny Hsu
n references to atom types which > are not in the G53a6 force field; that combination just doesn't work. > lipid.itp/popc.itp were written to be used with another force field. > It's generally not a good idea to mix force fields. > > Cheers, > > Tsjerk > > On

[gmx-users] Fatal error with grompp(with detail process)

2008-11-27 Thread Jenny Hsu
type LC2 WARNING 13 [file lipid.itp, line 108]: Overriding non-bonded parameters, old: 0.00238804 3.38411e-06 new LNL C 1 2.387718e-03 2.389594e-06 --- Program grompp, VERSION 4.0 Source code file: toppush.c, line: 793 Fatal error: Atom

Re: [gmx-users] DPPC simulations

2008-11-25 Thread Jenny Hsu
/25 Justin A. Lemkul <[EMAIL PROTECTED]> > > > Jenny Hsu wrote: > >> Hi all >> when i run grompp >> but it gives "Atomtype LC3 not found" >> Could anyone explain me briefly? >> >> > > There's lots of information about this ty

[gmx-users] DPPC simulations

2008-11-25 Thread Jenny Hsu
Hi all when i run grompp but it gives "Atomtype LC3 not found" Could anyone explain me briefly? Jenny Hsu ------ Jenny Hsu, Biotechnology Dept., Ming Chuan University, Taiwan, R.O.C ___ gmx-use