Edward Valera-Vera

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Questions related from Edward Valera-Vera

Is it reasonable to perform Free Energy Landscape (FEL) anallysis on molecular dynamics simulations of 50ns?

Hello everyone, I'm having an issue with a review of a paper. I performed 50ns MD simulations on docking poses to know if the predicted poses were stable. Among the literature doing similar...

25 October 2019 4,737 5 View

Why is GROMACS solvate giving me error when trying to use a mixed solvent in -cs?

Currently I'm trying to solvate a protein with a ethanol-water mixture I made and equilibrated. I did as this page says http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents with a box of...

20 March 2018 2,543 4 View