[gmx-users] protein_ligand error NVT

[Iman Katouzian]

Good day.

I have encountered a problem in my protein-ligand simulation as after the
energy minimization step, when I run the gmx mdrun -deffnm nvt
I encounter the error segmentation faiulire core dumped :

step 1: One or more water molecules can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.

Back Off! I just backed up step1b.pdb to ./#step1b.pdb.8#

Back Off! I just backed up step1c.pdb to ./#step1c.pdb.8#
Wrote pdb files with previous and current coordinates
*Segmentation fault (core dumped)*

Thanks.

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*Iman Katouzian*

*Ph.D.** candidate of Food Process Engineering*

*Faculty of Food Science and Technology*

*University of Agricultural Sciences and Natural Resources, Gorgan, Iran*