Giacomo Fiorin

As before, closed or open is just cosmetics :-)

@HanatoK @jhenin Here is a working draft where I extended the requests that you brought up in #481 to the handling of output streams. https://github.com/Colvars/colvars/tree/output_streams I still need to sort...

If you are using NAMD, I assume that you are using different `outputName` prefixes, otherwise your DCD trajectories would be overwritten (NAMD does not accept appending). So just like you...

Ok, cool. Please confirm with Chris C when you can, so that we are all on the same page. As far as I can tell all output files in both...

@HanatoK To compute a RMSD of a set of dihedral there is a `dihedralPC` component, which assumes input in the format used by CARMA: https://utopia.duth.gr/glykos/carma.html and uses `dihedral` components. You...

Looks like this needs #254 done before moving ahead. Assign back to me if needed.

Good to know, I look forward to the PR. I also agree that it's better to ~~keep~~ formalize the dependencies between components, since we have already a few ad-hoc cases...

Yes, what you ask is possible in theory but not implemented yet.

> The current dependency system would allow a CVC to have several parent colvars, just the same way a colvar can have several parent biases. But the loop over CVCs...

This is the line where the VMD PDB file reader is invoked (original commit 23f8480151ecc4efb03c9172e0804456d509d6ce): ``` int tmpmolid = vmd->molecule_load(-1, pdb_filename, "pdb", tmpspec); ``` A VMD `DrawMolecule` instance is needed...