Re: [gmx-users] mdrun producing 0 steps, 0 ps

Hi Travis, It looks like grompp doesn't parse your .mdp file properly. You should get an mdout.mdp which contains the parameters as they ended up in your .tpr file. Check these against your .mdp file. Alternatively you can 'gmxdump' your .tpr file to check the parameters. Was the .mdp file origina

[gmx-users] mdrun producing 0 steps, 0 ps

Hello, I'm trying to perform an energy minimization on a Tubulin-GTP-GDP complex in a water solvent with sodium ions. I use the following command to setup up the minimization, > grompp -f em.mdp -c tubulin_b4em.gro -p tubulin3.top -o tubulin_em.tpr My energy minimization file em*.mdp is: tit