[gmx-users] extra gro file generation

[Riccardo Concu]

Dear Sarah,
you have to use the trjconv command with the flags -b -e and -sep.
For example: trjconv -f xxx.trr -s xxx.tpr -o out.gro -b (initial frame
to read in ps) -e (last frame to read in ps) -sep
Regards
El mar, 05-11-2013 a las 01:04 -0800, sarah k escribió:
> Dear all,
> 
> I'm going to perform a molecular dynamics simulation on a protein. As a
> default the simulation gives one final *.gro file. I need to get a .gro
> file after each say 500 ps of my simulation, in addition of the final file.
> How can I do so?
> 
> Best regards,
> Sarah Keshavarz