Everth Vargas

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Questions related from Everth Vargas

Has anyone been able to make a MD simulation for any kind of tobermorite or C-S-H gel structure in GROMACS?

Currently I use Gromacs to perform molecular dynamics of set cement. I have tried to make it with monoclinic structure of tobermorite 11A, orthorombic structure of tobermorite 11A and monoclinic...

30 April 2020 6,472 0 View

How could I use Solvate gromacs command for solvate on Z axis of a monoclinic box, whitout living water molecules outside?

Currently I use Gromacs to perform molecular dynamics of tobermorite 11A, but it turns out that this structure has a monoclinic box, I need to solvate my structure only above in the z axis, but I...

27 March 2020 1,368 3 View