Dear GROMACS Users:
As I mentioned, I got the following log file when I used the "mdrun"
command. I installed GROMACS on my virtual machine. Is there any solution
to this problem?
Thanks!
Andy
PLEASE READ AND CITE THE FOLLOWING REFERENCE
H. J. C. Berendsen, D. van der Spoel and R. v
That means mdrun exited abnormally, e.g. from some undiscovered bug, or
(more likely) from someone e.g. pressing Ctrl-C on their terminal, or such.
Mark
On Thu, Jul 10, 2014 at 5:46 AM, Andy Chao wrote:
> Dear GROMACS Users:
>
> I used the grompp command to run energy minimization of an ionic
Dear GROMACS Users:
I used the grompp command to run energy minimization of an ionic liquid
structure according to the following command:
grompp -f em.mdp -c C4mimNTf2.gro -p C4mimNTf2.top -o NPT.tpr
and then run molecular dynamics simulation as the following:
mdrun -s NPT.tpr -o NPT.trr
when
