Re: [gmx-users] Error running grompp

2007-07-06 Thread Florian Haberl
Hi, On Friday, 6. July 2007 08:03, [EMAIL PROTECTED] wrote: > Dear gmx users: > I m carrying a protein explicit solvent simulation using gromacs > 3.3, then i added water, but in next step, I m getting the following error, check your top and gro file, something seriously is wrong, perha

[gmx-users] Error running grompp

2007-07-05 Thread fufengliu
Dear gmx users: I m carrying a protein explicit solvent simulation using gromacs 3.3, then i added water, but in next step, I m getting the following error, grompp -f em.mdp -c try.gro -p A.top -o A_em.tpr :-) G R O M A C S (-: Getting the Right