Dear GROMACS Users: I used the grompp command to run energy minimization of an ionic liquid structure according to the following command:
grompp -f em.mdp -c C4mimNTf2.gro -p C4mimNTf2.top -o NPT.tpr and then run molecular dynamics simulation as the following: mdrun -s NPT.tpr -o NPT.trr when I opend the NPT.trr file, there is nothing inside. Can you explain what was wrong? The last part of the md.log file shows Initialized non-bonded Ewald correction tables, spacing: 6.26e-04 size: 3836 Pinning threads with an auto-selected logical core stride of 1 Initializing LinNear Constraints Solver Thanks! -- 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.
