Gareth Tribello

Hello @PabloPiaggi I think a separate module is definitely the right way to include this stuff. If you want to combine in with the stuff @invemichele is suggesting that is...

Hello @GiovanniBussi . I don't know how efficient it is. The link cells are used at least. I did it as an experiment to see if I could get it...

Here is the paper: https://infoscience.epfl.ch/record/202770/files/text.pdf?version=1 This is nice as you use data learn what a hydrogen bond looks like in your system and then you use the criterion the machine...

Where or what was Toni's suggestion though?

Hello @xyli28 I am sorry for taking a while to get back to you on this. I think this is possible and it can be done quite easily especially if...

Thanks for explaining this more. It would be difficult to do this with the way that the adjacency matrix is implemented within PLUMED at present. I am working on a...

Hi @invemichele The Masterclass on OPES is still there and can be found at this link: https://plumed-school.github.io/lessons/22/003/data/NAVIGATION.html If you would like to put the second tutorial on that page on...

@carlocamilloni the change I made ensures that if you click on the tutorials button in the manual the plumed-school website opens. That was why I made the change to plumed.

Hello @valsson It is an Apple M2 Pro chip and I am running macOS Ventura. I am using the clang compilers that come with the developer tools. Good luck Gareth

Ciao @maxbonomi @GiovanniBussi and @carlocamilloni Separately from the issues with ves you have probably noticed that decreasing the precision of the files containing the derivatives has caused all sorts of...