[gmx-users] mdrun error
m g
dr_m_ganj at yahoo.com
Sun Sep 1 13:02:40 CEST 2019
Dear Justin, I'm simulating a system with "wall" for z direction, but I gave this error in minimization step "software inconsistency error: lost particles while sorting",.Would you please help me? I used the following parameter:
integrator =steep
emtol = 100.0emstep = 0.01nsteps = 5000nstlist = 1cutoff-scheme = Verletns_type = gridrlist = 1.2 coulombtype = PMErcoulomb = 1.2vdwtype = cutoffvdw-modifier = force-switchrvdw-switch = 1.0rvdw = 1.2 DispCorr = nopbc =xy nwall = 2wall_type = 10-4wall_r_linpot = 1wall_atomtype = ca cawall_density = 60 60wall_ewald_zfac = 3ewald-geometry = 3dc
Thanks,Ganj
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