[gmx-users] RDF in gromacs

[daniel madulu shadrack]

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
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*FOR GOD LET US DO MUCH, **QUICK AND **WELL*..
                                          *St. Gaspar Del Bufalo*