Dear All
I have rst file available from canonical molecular dynamics. My aim is to I get the energy corresponding to that rst file without doing single step MD? Restart file contains position & velocity. So in principle I should be able to calculate the energy
without doing MD. How can I do it in AMBER 9?
Please suggest.
Reagrds
Priya
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Received on Sun May 25 2008 - 06:08:11 PDT
