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"fix colvars" will always apply to the entire system ... when a LAMMPS simulation is restarted using :doc:`read_data <read_data>`, the Colvars state file must be available and loaded via the "input" ...
Using single molecule data file build bulk system data file. Inspired by gromcas .itp file and .top.
Updata 1.0: single2data.f90 read can fixed format data file and deal with all-atom and coarse-grain initial data file. Update 2.0: can read free format .data file and ...
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