[gmx-users] Hydrated radius of ions
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
> *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
> Is there any gromacs utility to calculate the hydrated radius of ions?
> Manik Mayur
> Graduate student
> Microfluidics Lab
> Dept. of Mechanical Engg.
> IIT Kharagpur
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Dept. of Mechanical Engg.
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