Hello, I have got a little Problem here. Since I added the option "-t 2nd_equi.trr" to my grompp command to takeover all velocities from my equillibrated state, my energy file (full.edr) is created, but nothing is written to it any more. Could anybody tell me what I did wrong? My runs were aborted without any output from gromacs after approx 10^5 to 10^6 steps.
the commands I used: grompp -nice 1 -f full -o full -c after_2nd_equi.pdb -p topol.top -n pull.ndx -t 2nd_equi.trr mdrun -nice 1 -v -s full -e full -o full -x full -c after_full.pdb -g full.log -pi pull.ppa -po pullout.ppa -pd pull.pdo -pn pull.ndx nstenergy is set to 2500 in the full.mdp file I use for the simulation. thanks in advance Jan _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
