[gmx-users] what standard is successful when doing EM

gromacs ptf1242 at 163.com
Fri Feb 4 12:07:15 CET 2011

Hi, guys

Water molecule starting at atom 10578 can not be settled.
Check for bad contacts and/or reduce the timestep.

When i run 6x6x1.3nm water box. i used several methods to do EM. So i can do several EM. But which .gro should i select as my input .gro for my running? Because when i use different .gro, i got different results. So here i thought there should be a standard. Please note, Even when the Max-force is below 50, there will also be different .gro structure.
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