[gmx-users] Hydrated radius of ions

[Dallas B. Warren]

That depends on what you are interested in.

 

The radius of all of the ions or a single ion?  (if the latter, you will
need a long simulation to get enough statistics to make it half decent).

 

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

 

From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Manik Mayur
Sent: Saturday, 21 November 2009 1:06 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Hydrated radius of ions

 

 

2009/11/20 Dallas B. Warren <Dallas.Warren at pharm.monash.edu.au>

g_rdf ?

Thanks, but while using g_rdf, when I have lots of ions, do I have to
make an ndx file entry of a single ion or I have to supply the whole ion
group while selecting the reference group.

	Catch ya,
	
	Dr. Dallas Warren
	Drug Delivery, Disposition and Dynamics
	Monash Institute of Pharmaceutical Sciences, Monash University
	381 Royal Parade, Parkville VIC 3010
	dallas.warren at pharm.monash.edu.au
	+61 3 9903 9167
	---------------------------------
	When the only tool you own is a hammer, every problem begins to
resemble a nail. 

	 

	From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Manik Mayur
	Sent: Friday, 20 November 2009 2:10 AM
	To: Discussion list for GROMACS users
	Subject: [gmx-users] Hydrated radius of ions

	 

	Hi,
	
	Is there any gromacs utility to calculate the hydrated radius of
ions?
	
	Thanks,
	
	Manik Mayur
	Graduate student
	Microfluidics Lab
	Dept. of Mechanical Engg.
	IIT Kharagpur
	INDIA

	
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Manik Mayur
Graduate student
Microfluidics Lab
Dept. of Mechanical Engg.
IIT Kharagpur
INDIA

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