Hi Mark, hi Dallas, I'll try your suggestion.
Thanks a lot!! Jan Mark Abraham schrieb: > kobi wrote: >> 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. > > You look to be doing sensible things, and the suggestion made by > Dallas is a good one. You can test for that kind of problem by doing a > smaller number of steps (say 10^4) and seeing what output exists after > successful termination. > > Mark > _______________________________________________ > 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 > > _______________________________________________ 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
