Re: [gmx-users] Clarification on the "-surface" and "-output" options of "gmx sasa"

On Mon, Mar 9, 2020 at 2:47 PM ZHANG Cheng <272699...@qq.com> wrote: > Dear Gromacs, > > > There seems to be very little explanation on the "-surface" and "-output" > options of "gmx sasa": > -surface: This should always consist of all non-solvent atoms in the > system. The area of this group is

[gmx-users] Clarification on the "-surface" and "-output" options of "gmx sasa"

Dear Gromacs, There seems to be very little explanation on the "-surface" and "-output" options of "gmx sasa": -surface: This should always consist of all non-solvent atoms in the system. The area of this group is always calculated -output: can specify additional selections, which should be