AMBER Archive (2008)

Subject: AMBER: calculating the energy from the restart file

From: priya priya (priyaanand_27_at_yahoo.co.in)
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.

Reagrds
Priya

       
---------------------------------
 Bring your gang together. Do your thing. Find your favourite Yahoo! Group.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu