[gmx-users] RDF in gromacs

[Dallas Warren]

What is the selection syntax you are actually using? Copy and paste, don't
do from memory.

On Wed, 9 Jan. 2019, 8:40 pm daniel madulu shadrack <dmssjut at gmail.com
wrote:

> Hi,
> I am calculating the rdf of my system as follows.
>
> 1. rdf of oxygen atom of my drug and water this is successful (I just made
> an index file and for water i choose eg. 5 & a OW) this worked fine.
>
> 2. I want now to calculate the rdf of oxygen in my drug and oxygen from the
> hydroxyl group of the chitosan, I am getting difficult on how to select
> only oxygen in chitosan or polymer and make an index file, I am getting
> syntax errors, How should I do?
>
> Help.
>
> --
>
>
> *Regards,               *
> Daniel Madulu Shadrack., (M.Sc. Chem).
> PhD Research Scholar
> (Nanomedicine & Comp. Aided Drug Design)
>
>   dmssjut at gmail.com
> -
> *FOR GOD LET US DO MUCH, **QUICK AND **WELL*..
>                                           *St. Gaspar Del Bufalo*
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