How to correct "step 12: Water molecule starting at atom 61920 can not be settled. Check for bad contacts and/or reduce the timestep if appropriate" ?

Prakash Jha @Prakash_Jha14

04 April 2018 0 4K Report

Program gmx mdrun, VERSION 5.1.2

Source code file: /build/gromacs-z6bPBg/gromacs-5.1.2/src/gromacs/mdlib/constr.cpp, line: 555

Fatal error:

step 12: Water molecule starting at atom 61920 can not be settled.

Check for bad contacts and/or reduce the timestep if appropriate.

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