Dear all
I would like to know the difference between restarting our crashed runs by
1) first generating next.tpr using tpbconv -extend option
then running grompp with this *.tpr file
and finally running mdrun but with no cpi option
2) same as 1 but with -cpi option
3) using only mdrun command with cpi option and with previous *.tpr
(ie not creating new tpr by tpbconv option)
4) using procedure 3 but with no state.cpt file
Secondly, if state.cpt contains all the information to continue the
simulation then why the simulation should continue at all without providing
these files as in procedure 1 and 4
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
