plumed2
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plumed
Development version of plumed 2
This is to report on failures using NVIDIA compiler. - As it was noticed already (#524) there's a problem with PBC. I reported this to NVIDIA, they will fix it....
Since GROMACS 2019 the option `-multi` is gone, and one is forced to use `-multidir`. This makes the whole replica suffix stuff largely useless. I would not remove it (since...
PLUMED location: /usr/local/lib/plumed diff file: /usr/local/lib/plumed/patches/gromacs-2020.4.diff sourcing config file: /usr/local/lib/plumed/patches/gromacs-2020.4.config ERROR: Preliminary test not passed. It seems that this is not gromacs-2020.4, or you are in the wrong directory If...
From terminal if I call plumd it returns (base) debanjan@debanjan:~/Desktop$ plumed Nothing to do. Use 'plumed help' for help "Gromacs installed and in working condition (base) debanjan@debanjan:~/Desktop$ gmx :-) GROMACS...
Might be useful if additional cpp file includes header only libraries. See [this discussion](https://github.com/plumed-nest/plumed-nest/issues/65). @tonigi
I would like to clean up a bit the interpreted for the cmd strings. 1. Simplify the addition of new cmd strings - perhaps the word_map can be generated automatically...
I just added a short example of COMBINE with PERIODIC in the manual (on Pratyush request). Better thinking about it, I think we could automatize this choice for COMBINE. I...
Neighbor lists do not work correctly with PATHMSD and PROPERTYMAP. The code knows it and correctly crashes. We should make the things compatible. See also discussion on #31
I open this issue to comment about the draft EMST implemented by @maxbonomi. Super useful! First, a list of missing things: - [ ] Allow `ActionAtomistic::makeWhole` to use the tree....
See [this post](https://groups.google.com/d/msgid/plumed-users/0fa8e551-7461-478c-bb41-e799bf1b99b3%40googlegroups.com). I used it in the past, so this might be a problem that appeared in some release, or specific to the employed settings. To be checked.