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6.6 years ago
simple_dozer
•
0
I want to extract n frames in pdb format from say, the last half of a gromacs trajectory. How do I do this?
This is when I have 50000 as my nsteps
in the mdp
file I used for running grompp
, before I did energy minimisation using mdrun
. I tried playing around with -b
and-e
arguments for gmx trjconv
but I get and error saying:
...
trn version: GMX_trn_file (single precision)
Last frame -1 time 0.000
WARNING no output, last frame read at t=474
...
For example, I may get this error by running gmx trjconv -f the-em.trr -o the-em.pdb -b 0 -e 400 -dt 10