I would like to calculate the RDF between some ions and oxygen atoms of a
polymer. The polymer has ester functional group with two different atom
types O and OS according to GAFF. It has also a side chain with ethereal
oxygen which has the same atom type as the ester part. How can I specify
the O of the side chain in the index file to tell it apart from the other O
Besides there are around 500 of this atom in the system so changing
something manually is not a good option either.

Best regards,
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
mail to gmx-users-requ...@gromacs.org.

Reply via email to