[AMBER] How to save a restart file

From: Rahul Banerjee <rahul.banerjee.chemistry.msu.edu>
Date: Fri, 11 Mar 2011 11:51:50 -0500

Dear Amber users,

I have a long trajectory for a peptide simulation using Amber. How can I save a particular snapshot (lets say nth snapshot) from the mdcrd file as a restart (rst) file. I want to start another simulation from the new restart file.

Thank you for your comments and suggestions.

With best regards,
Rahul

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Received on Fri Mar 11 2011 - 09:00:03 PST
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