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ubccr / software-layer

CCR Software Layer
GNU General Public License v2.0
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Fixed setting environment variables for Amber #270

Closed tonykew closed 2 months ago

tonykew commented 3 months ago

Fixed Amber easyconfig files

Added OpenBabel version 3.1.1 to add hydrogen atoms to a pdb file (see https://ambermd.org/tutorials/basic/tutorial4b ) which includes: maeparser version 1.3.0 CoordgenLibs version 3.0.1

Tony