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

Reply via email to