ForceGen Discussion

Derives force constants from Gaussian QM for Gromacs MD

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Topic	Posts	Views	Last Post
ForceGen support for Gaussian 16 By Kalyan Kumar N on Sun Aug 29, 2021 06:21 PM	1	80	By Kalyan Kumar N on Sun Aug 29, 2021 06:21 PM
Updated ExampleFiles.zip By Anthony Nash on Fri Feb 01, 2019 09:48 AM	1	198	By Anthony Nash on Fri Feb 01, 2019 09:48 AM
Version 0.4 By Anthony Nash on Thu Aug 03, 2017 10:32 AM	1	195	By Anthony Nash on Thu Aug 03, 2017 10:32 AM