i want to extend a completed simulation and i need to increase the temperature. from the documentation i saw this
"If you wish/need to change .mdp file options, then either
grompp -f new.mdp -c old.tpr -o new.tpr -t old.cpt
mdrun -s new.tpr
or
grompp -f new.mdp -c old.tpr -o new.tpr
mdrun -s new.tpr -cpi old.cpt
should work. The former is necessary under GROMACS 4.x if the thermodynamic ensemble has changed. (Someone said "If your old.cpt is for a run that has finished, then use tpbconv -extend after grompp and before mdrun." but mabraham disagrees. A run finishing is judged by the contents of the .cpt in the context of the .tpr. So, if the latter is changed, then the run isn't finished.)"
but i dont understand the information in bracket. If anyone has ever extended and increased temperature please help.
Thanks