HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS
GNU Lesser General Public License v2.1
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COM distances are zero in pullx-file #9

Closed BerndDoser closed 3 years ago

BerndDoser commented 3 years ago

The pullx-file should contain the COM distance for each coordinate. All values are zero. The pullf-file contain the correct pull force for each coordinate.