Re: [gmx-users] Re grompp and mdrun output files

2014-07-25 Thread Giuseppina La Sala
@maillist.sys.kth.se Oggetto: [gmx-users] Re grompp and mdrun output files Hi GROMACS users, I typed the command grompp -f md300.mdp -c equi_new.gro -n dex.ndx -p topol.top -maxwarn 1 -o md300.tpr then this command mdrun -v -deffnm md300 So, I was expecting that the md300.gro output file will be same

[gmx-users] Re grompp and mdrun output files

2014-07-24 Thread Melsa Rose Ducut
Hi GROMACS users, I typed the command grompp -f md300.mdp -c equi_new.gro -n dex.ndx -p topol.top -maxwarn 1 -o md300.tpr then this command mdrun -v -deffnm md300 So, I was expecting that the md300.gro output file will be same to the last frame when I load the md300.xtc on the equi_new.gro