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 < [email protected]> 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 > valid? > 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 > Mohsen >
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