[gmx-users] extended calculation pdb extracttion query

[Deep kumar]

Dear ALL,

I have run an extended simulation for 90ns like this: (my previous run was
for 10ns)

grompp -f new.mdp -c old.tpr -o new.tpr
mdrun -s new.tpr -cpi old.cpt


because, I had to make changes in the .mdp file. I have got new files
from the new extended run;


new.tpr, new.xtc  ....etc


My 10ns mdrun results are like old.tpr, old.xtc   ...etc

Now, I want to get the pdb files from the runs (10ns + 90ns). Can you
please let me know how can I do it? I know to get the pdb files from mdrun
I should do this:

gmx trjconv -s new.tpr -f new.xtc -dt 100 -o trj.pdb

but I want to combine both 10ns and 90ns and get the pdb files.

Thanks,
DK