[gmx-users] g_rdf

[Anton Feenstra]

parinald at unsl.edu.ar wrote:

> Hello gmx`ers:
>               I have Cl- and Na+ en water, how I can do the rdf
> to:  Oxigen with Cl-, Oxigen with Na+, Hidrogen with Na+, Hidrogen
> with CL-?

Use make_ndx to make groups of the appropriate atoms (e.g. Cl-, O, etc).
Then, give the index file to g_rdf and choose any two appropriate groups.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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