Dear All, After equilibration, I want to pass on the checkpoint files state.cpt for production run for which I give the command g_mdrun -s md.tpr -c md.gro -o md.trr -cpi state.cpt -cpo state_md.cpt
The job terminates with error that output files for checkpoint files are insufficient Just 1 out of 3files are present Required: npt.trr ,npt.edr I have the above mentioned files in the folder ,still the error message exists What is the correct procedure to pass checkpoint files? Also,for generation of tpr file,we use .gro files from the last run.what are the advantages of using .cpt files? Are they essential? Thanks in advance for your suggestions Yours sincerely Apramita -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
