[AMBER] Modifying a bias .nc file for ABMD

From: Michael Bruist via AMBER <amber.ambermd.org>
Date: Fri, 3 Nov 2023 21:45:17 -0400

I would like to make modifications to a bias file and then use that as the starting bias for a new abmd run. I am not able to create a file with the correct .nc format. Can nfe-umbrella-slice convert ascii to .nc? I have tried ncgen, but the file created is not recognized by abmd.

Thank you for your help.

Michael F. Bruist
Professor of Biochemistry, Emeritus
Department of Chemistry and Biochemistry
St. Joseph’s University

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Received on Fri Nov 03 2023 - 19:00:02 PDT
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