[gmx-users] charge groups

akn akafali84 at hotmail.com
Mon Nov 5 15:24:13 CET 2012


Dear gmx users,

I'm using PME for electrostatic interactions and so I don't need to arrange
charge groups.
I want to learn how should I fill cgnr coloumn if I don't want to arrange
charge groups.
İf my molecule contains ten atoms, is it enough to write the numbers from 1
to 10 for each
atom at the cgnr coulumn?


Can you give me answer, please?

Regards,

Akn.




--
View this message in context: http://gromacs.5086.n6.nabble.com/charge-groups-tp5002681.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.



More information about the gromacs.org_gmx-users mailing list