AMBER Archive (2008)

Subject: AMBER: calculating the energy from the restart file

From: priya priya (
Date: Sat May 24 2008 - 09:03:46 CDT

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.


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