VMD-L Mailing List

From: Ian Stokes-Rees (ijstokes_at_hkl.hms.harvard.edu)
Date: Wed Sep 22 2010 - 14:42:30 CDT

 Excuse this very "beginner" question. Is it accurate to say that the
solvent box should, in general, be cubic and have sides that are ~15A
larger than the longest axis of the complex being studied?

I suppose for "steered" simulations with fixed points, a non-cubic box
would be fine.

TIA,

Ian