Pablo Piaggi comments

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                                            Pablo Piaggi

PLUMED: I cannot understand line: PAIRENTROPY LABEL=s2 ATOMS=1-256 MAXR=0.7 SIGMA=0.0125 NLIST NL_CUTOFF=0.8 NL_STRIDE=4 PLUMED: Maybe a missing space or a typo?

I will get back to you on this as soon as possible by email. Thanks.

PLUMED: I cannot understand line: PAIRENTROPY LABEL=s2 ATOMS=1-256 MAXR=0.7 SIGMA=0.0125 NLIST NL_CUTOFF=0.8 NL_STRIDE=4 PLUMED: Maybe a missing space or a typo?

Hello @nirzaa , I simplified the procedure to use the pair entropy CV. I have uploaded examples to [this repository](https://github.com/PabloPiaggi/PRL-2017-PairEntropy) and it has an associated Plumed Nest egg [here](https://www.plumed-nest.org/eggs/21/047/). You...

PLUMED: I cannot understand line: PAIRENTROPY LABEL=s2 ATOMS=1-256 MAXR=0.7 SIGMA=0.0125 NLIST NL_CUTOFF=0.8 NL_STRIDE=4 PLUMED: Maybe a missing space or a typo?

Thank you @valsson @invemichele and @gtribello for your suggestions. I like the idea of having a module both with g(r) and structure factor related stuff. @invemichele when are you planning...

PLUMED: I cannot understand line: PAIRENTROPY LABEL=s2 ATOMS=1-256 MAXR=0.7 SIGMA=0.0125 NLIST NL_CUTOFF=0.8 NL_STRIDE=4 PLUMED: Maybe a missing space or a typo?

No, @invemichele there's no rush. Opening a PR against the master branch some time in the future sounds good to me.

Fix tail corrections in gromacs?

I thought that the lack of tail corrections in the interface with Gromacs was intentional. The tail corrections are special because they have a contribution to the virial but no...

Error with restarting LAMMPS simulation with PLUMED and SHAKE

Hi @invemichele, we had never seen this error before. I believe it should be due to recent changes in either LAMMPS or Plumed. Did you test the same versions @ppegolo...