[gmx-users] Bond rotation freedom or mobility

Eric Smoll ericsmoll at gmail.com
Tue Aug 25 20:31:33 CEST 2015

Hello GROMACS users,

I am interested in quantifying the freedom or mobility of specific
carbon-carbon single bonds in a organic molecule. Does anyone know the most
appropriate method to do this? Can I make use of "gmx chi"?


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