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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