Samuel Varner

icon company Caltech icon location Pasadena, CA icon location PhD candidate, DOE CSGF Fellow in at Caltech (Chemical Engineering)

Results 2 issues of Samuel Varner

Barycenter Calculation in OpenMM

3 comment

I am not sure if this is a known issue, but I noticed that CVs which rely on the barycenter has a small issue in OpenMM. To my knowledge, OpenMM...

Weird behavior when changing CustomNonbondedForce() and CustomExternalForce() parameters

4 comment

Hello, I am doing thermodynamic integration where I want to change a force-field parameter of a CustomNonbondedForce as well as change a global parameter of a CustomExternalForce. Part of the...