[gmx-users] gromacs 3.0 and 3.1

[Magdalena Siwko]

Hi All,
I calculate using two computers but on first I have gmx3.0 and on second
gmx3.1.4. I want to use gen_pairs as yes and change fudgeQQ and fudgeLJ.
So I copied ffgmx*.itp to my directory and changed.
When I run grompp using gmx3.1.4 I have warnings:
calling /lib/cpp...
processing topology...
WARNING 1 [file "ffgmxnb.itp", line 270]:
  Trying to add LJ-14 while the default nonbond type is LJ (SR)
WARNING 2 [file "ffgmxnb.itp", line 271]:
  Trying to add LJ-14 while the default nonbond type is LJ (SR)
WARNING 3 [file "ffgmxnb.itp", line 272]:
  Trying to add LJ-14 while the default nonbond type is LJ (SR)
 and is crashed
And using gmx3.0 I don't have this warnings.
I don't understand what it means and what to do.
Could somebody help me?

Thanks,
Magda
-- 
**********************************************************************
*  Department of Lipids and Liposomes, Institute of Biochemistry and *
*  Molecular Biology, University of Wroclaw                          *
*  Przybyszewskiego 63/77, tel: +4871 375 6203			     *
*  Magdalena.Siwko at ibmb.uni.wroc.pl				     *
*								     *
**********************************************************************