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
--
========================================
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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