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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