Question: Energy minimization error using gromacs
gravatar for med2018
2.4 years ago by
med20180 wrote:

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 ?

ADD COMMENTlink modified 2.4 years ago by RamRS28k • written 2.4 years ago by med20180

Please use the formatting bar (especially the code option) to present your post better. I've done it for you this time. Formatting bar

ADD REPLYlink written 2.4 years ago by RamRS28k
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