On Sat, Nov 19, 2011, subrata paul wrote:
>
> I want to calculate orientational order prameter of suger water
> solution.I did my MD simulation in Amber10.
You can use the "analyze timecorr" command in ptraj to compute
time-correlation functions (see Section 6.6 of the AmberTools Users' Manual).
Orientational order parameters are usually related to these, but I'm not sure
exactly how you are using this term.
....dac
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Received on Sat Nov 19 2011 - 08:00:03 PST
