[OpenGrowth] Release of version 1.0.1
OpenGrowth is a program which constructs de novo ligands for proteins.
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ncheron
From: Nicolas C. <nic...@gm...> - 2018-09-03 20:23:55
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Dear OpenGrowth users, I have just uploaded a new release of OpenGrowth. Eventhough the version number seems only minor, it is an important update that corrects a bug that was introduced when SMoG2016 was added to OpenGrowth instead of SMoG2015. I recommended to every user to use this version. Change log: * reintroduction of the hardwall potential for SMoG2016 (VDW_SCALE_INTER and VDW_SCALE_INTRA keywords). You can get it from here: https://sourceforge.net/projects/opengrowth/files/ Happy growing, Nicolas |