[gmx-users] -selrpos option

Dallas Warren dallas.warren at monash.edu
Wed Nov 28 22:22:58 CET 2018


com = center of mass
cog = center of geometry

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Thu, 29 Nov 2018 at 05:26, rose rahmani <rose.rhmn93 at gmail.com> wrote:
>
> Hi,
>
> What is the usage of -selrpos option in gmx distance,sasa,... . I don't
> understand how can i use it? What is difference between mol_cog and
> mol_com,...? If i wanted to calculate distance from the surface of nanotube
> how can i specify it?
> --
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