> ---
> Program mdrun, VERSION 3.3.3
> Source code file: nsgrid.c, line: 226
>
> Range checking error:
> Explanation: During neighborsearching, we assign each particle to a grid
> based on its coordinates. If your system contains collisions or par
Hi!
I'm trying to minimize a protein into the box filled with solvent.
I converted the pdb file into gro file, constructed a triclinic box (volume of
~337 nm3) and filled with 9696 water molecules. I performed the minimization
with 15 steps, using steepest descent integrator (mdp file enclo
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