Amir Zeb

2 Questions 1 Answers 0 Followers

Questions related from Amir Zeb

How to define a modified residue as QM region in QSite?

Hello all, I have a modified residue in my protein and I want to optimize its geometry by QM/MM calculations in QSite (Schrodinger). When I put the HCaps cuts, and select wither option e.g. side...

08 September 2021 5,911 0 View

Is it possible to apply surface tension to the lower leaflet of lipid bilayer in Desmond MD simulation?

Hello folks, I want to apply either negative lateral pressure (which is not parameterized in Desmond I got from some source) or then surface tension (which the previous literature has applied but...

02 July 2021 2,036 0 View