Write receptor-ligand COM distance to ramd.xvg file

HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS

GNU Lesser General Public License v2.1

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Write receptor-ligand COM distance to ramd.xvg file #10

Closed BerndDoser closed 3 years ago

BerndDoser commented 3 years ago

To reduce the standard output and bring the receptor-ligand COM distance in a more convenient format the xvg format similar to pullx and pullf will be used.

BerndDoser commented 3 years ago

Implemented in 92e55e3e108996f6b924a05fd75d9eb409152c1a