plumed2
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plumed
Development version of plumed 2
It was [suggested](https://groups.google.com/d/msgid/plumed-users/551719f7-b6e8-4e93-8a9e-65eab8b4b924%40googlegroups.com?utm_medium=email&utm_source=footer) that the logo in the manual should be made smaller to make it more readable. I report it here so that we don't forget to give a...
I want to create an action which can calculate the minimum spanning tree for the adjacency matrix of the cluster. And also this action would calculate the sum of the...
@carlocamilloni @maxbonomi I noticed that in the supp info of the PLUMED-ISDB paper you copied part of the pdf manual, I think that's a good idea. Though I see that...
I open a new issue related to something that was pointed out by @ceriottm (also mentioned in the unrelated #262) I copy here a text that Michele sent me by...
Currently, whenever we read a double, we check it first against a few special strings, namely those in the form Xpi (with X a double). Exploiting either libmatheval or lepton...
We should add the possibility to include a switching function on the angle to define a hydrogen bond. I do not know if there is a conventional way to do...
Bernd Ensing suggested having an action that writes on a file the value of the forces applied on the atoms. Should be not difficult.
It would be useful for both replica exchange and multiple walkers (see #12)
GROMACS is checkpointing regularly. When restarting, trajectories are properly appended also if the checkpoint has been saved earlier than the last trajectory snapshot. I.e., trajectories are cut at the proper...