[gmx-users] Hydrated radius of ions

Manik Mayur manik.mayur at gmail.com
Fri Nov 20 15:06:06 CET 2009


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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