dear sir
i am simulating a system containing 10 dissachride and apx. 1000
watermolecule(Glycam forcr field and amber10). then i was simulate first NVE
then NPT.
when i tried to calculate RDF between WAT.O and WAT.O
the plot goes to 1.
ptraj.in
trajin xxxx.mdcrd
radial xx_rdf .01 10 :WAT.O :WAT.O
Is my prtaj input wrong.
how i solve the problem
thanking U
subrata
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Received on Thu Dec 30 2010 - 07:30:04 PST
