[gmx-users] Charge groups

mohsen ramezanpour ramezanpour.mohsen at gmail.com
Sun Feb 6 08:07:05 CET 2011

Dear All

I read charge groups section in the gromacs manual.
I have a question.please let me know it's answer.

Is it necessary that our charge groups be made of afew number of atoms?
in the other words ,if I have a charge group with 50 atom,Is my results
I didn't see anywhere in manual to dertermine any extent for number of atoms
in charge groups!
It had just noticed we must make charge groups for atoms with total charge
of zero,atoms near to eachother in position.

Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110206/49d4887d/attachment.html>

More information about the gromacs.org_gmx-users mailing list