Does a closed cavity contribute to molecular (Connolly) surface or NanoShaper SES? #190
-
Dear APBS experts, My apologies for spamming this discussion board.. I am using "surface_method = smoothed molecular surface" for multigrid FD (mg-auto) calculation, and "mesh = NanoShaper SES" for tabi calculation. And I was wondering whether a cavity would be assigned the bulk solvent dielectric / additional triangulated surface, if that cavity is completely closed and disconnected from the outside surface. Many thanks, |
Beta Was this translation helpful? Give feedback.
Replies: 1 comment 2 replies
-
I believe the cavities should be marked as solvent dielectric but would like @lwwilson1 to confirm. Thanks. |
Beta Was this translation helpful? Give feedback.
I believe the cavities should be marked as solvent dielectric but would like @lwwilson1 to confirm. Thanks.