[gmx-users] How to decrease the time gap between frames of an already made simulation

Marko Sever Marko.Sever at ki.si
Tue Oct 18 15:50:08 CEST 2016


Hello,

could you please advise regarding the correct command for  decreaseing the time gap between frames of an already made simulation, from 20ps to 1ps. 

I tried these commands but they didn't work: 

gmx trjconv -s md.tpr -f md.trr -o md1pico.xtc -tu ps -skip 500
gmx trjconv -f md.trr -o md1pico.xtc -timestep 1

And various similair commands to those...

But seems it isn't the correct way to go about it...
Can you guys help?

Cheers,
Marko




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