Re: [gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Tsjerk Wassenaar
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

Re: [gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Tsjerk Wassenaar
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

[gmx-users] WARNING no output error while dumping structures with trjconv from MD.trr

2016-05-21 Thread Antara mazumdar
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