Hi,
Say your initial mdrun command for 30 ns were as follow
grompp_mpi -c npt.gro -p topol.top -n index.ndx -t npt.cpt -o md_0_1.tpr
and
mdrun_mpi -deffnm md_0_1
Then you should get the files such as md_0_1.xtc, md_0_1.log,
md_0_1.edr, md_0_1.cpt, md_0_1.trr and so on
Then you obtain a new
Soumadwip
Thank you very much for your response. So you are suggesting that
'gmx mdrun -s final_monomer.tpr -v -deffnm md_0_1 -cpi md_0_1.cpt -append'
instead of
'gmx mdrun -s final_monomer.tpr -cpi md_0_1.cpt -append' (which I have used for
the extended simulation)
can solve my problem. I
