On 9/20/17 8:39 AM, Deep kumar wrote:
Hi 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
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
Hi 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