[gmx-users] Xavier Periole,I'v tried it again.

Xavier Periole periole at inka.mssm.edu
Mon Feb 24 04:04:40 CET 2003

I am not sure your minimization was bad before. It seems that
the energy decreased a little more, which is supposed to be
Your simulation stopped at approximately 5000 steps, so it is
far away your minimization, even though your time step was
ridiculously small.
modify your mdrun.mdp and try to run, not minimize. Forces can
occur even in a equilibrated simulation. Just something can be
mistreated at one point for a stupid reason.

More information about the gromacs.org_gmx-users mailing list