Oh, you don't want to dump one frame! You want the frames beyond 25 ns. So
don't use -dump at all. You'll only get one frame though, using a spacing
of 1 ns.
Cheers,
Tsjerk
On May 21, 2016 13:53, "Tsjerk Wassenaar" wrote:
> Hi Antara,
>
> You indicate you want the frame at
Hi Antara,
You indicate you want the frame at 27ns (-dump 27000), but that's not in
the trajectory. The suggestion is to ask for a frame that is in, like -dump
25290
Cheers,
Tsjerk
On May 21, 2016 13:09, "Antara mazumdar" wrote:
Dear gromacs users,
I was trying to
Dear gromacs users,
I was trying to dump structures from MD.trr using trjconv. The MD.trr
has 0ns to 382ns of data. (i checked the MD.log file also). However, when
i try to dump structures beyond 25ns, with the following command :
*gmx trjconv mpi -f MD.trr -dump 27000.000 -dt 1000 -s MD.tpr