[gmx-users] Re: Charge groups
ramezanpour.mohsen at gmail.com
Sun Feb 6 08:15:49 CET 2011
with this size of charge group,what table extention is enough?
Thanks in advance
On Sun, Feb 6, 2011 at 10:37 AM, mohsen ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:
> 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
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