[gmx-users] empty energy file

[kobi]

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