[AMBER] sleap bugfixes

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Wed, 23 Feb 2011 16:34:03 -0500

Hi,

We have recently posted two bugfixes for sleap that fix a number
of outstanding issues:
http://ambermd.org/bugfixesat.html

********> bugfix 17
Authors: Wei Zhang, B. Lachele Foley, Scott Brozell
Date: 20 February 2011

Programs: sleap

Description: Make the addions command more similar to tleap's:
             two ions can be specified on the command line.


********> bugfix 18
Authors: Wei Zhang, B. Lachele Foley, Scott Brozell
Date: 21 February 2011

Programs: sleap

Description: Make six corrections and improvements to better emulate tleap:
             fix the saveAmberParm command bug that created angles each
             time that command was used; fix the savePdb commmand bug that
             caused viewing problems in VMD with large molecules (specifically
             more than 100,000 atoms); fix the topology file bug that caused
             segfaults in sander and pmemd for molecules created with the
             combine or sequence commands; update the set UNIT box command so
             that it takes a list of size three, e.g., set UNIT box { x y z };
             update the solvatebox command so that it handles the iso option;
             add the check command.


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Received on Wed Feb 23 2011 - 14:00:05 PST
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