On Tue, Mar 31, 2015, Maksim MiĻin wrote:
>
> I believe there is a mistake in the units of bulk solvent pressure and
> compressibility reported by the latest version of rism1d program.
Our interpretation is that results in older code (AmberTools13 are earlier)
are incorrect, and that the new results (from AmberTools14) are correct.
Here is the log file from 30 May 2013:
commit 3244a10e1656b2992c19170c63802121fb54b993
Author: Tyler Luchko <tluchko.rutgers.edu>
Date: Thu May 30 16:55:45 2013 -0400
rism1d: corrected pressure and compressibility units in output
was incorrectly reporting MPa instead kPa.
...hope this helps....dac
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Received on Tue Mar 31 2015 - 09:30:03 PDT
