[gmx-users] minimization

[mustafa bilsel]

Hi all,
At the end of the minimisation I obtained potential energy value
approximately -40,000 and I see the following warning
Stepsize too small, or no change in energy.Converged to machine precision,
but not to the requested precision Fmax < 10

As far as I know for succesful minimisation potential energy must be between
-100,000 and -1,000,000.
My em.mdp file as follows

integrator= steep
emstep=0.1
nsteps=10000000
nstlist=10
rlist=1.0
coulombtype=pme
rcoulomb=1.0
vdw-type=cut-off
rvdw=1.0
nstenergy=10

My minimisation stops at approximately 19,000 th step.
Is my minimisation acceptable?If no, how can I correct it?

best wishes
Mustafa
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