Hi

I did command (mdrun -s -o -c -e -g) but following error was came up where
as my dt is 0.001 ps in mdp file:

t = 0.005 ps: Water molecule starting at atom 20937 can not be settled.
Check for bad contacts and/or reduce the timestep.
Wrote pdb files with previous and current coordinates.

I reduced time step but same error was came up again.I enlarged box size but
same error was came up again.

please guide me.
-- 
gmx-users mailing list    [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
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