[gmx-users] Radial distribution function by COM

[Justin A. Lemkul]

Fabian Casteblanco wrote:
> Hello everyone,
> 
> Is there any way to do a g(r) plot between the COM of a single solute 
> particle, and the COMs of each solvent molecule around it?  It seems to 
> only let your choice be the COM for the first pick.  Is there any way to 
> do it for both choices?
> 

I think you can do it with:

g_rdf -com -rdf mol_com

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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