Energy minimization error using gromacs
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6.1 years ago
med2018 • 0

Hi all,

I'm new in molecular dynamics simulation. During energy minimization of my protein in gromacs, I got this error :

step 25: Water molecule starting at atom 741723 can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.

Anyone has an idea ?

molecular dynamics simulation • 1.7k views
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