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@ejmaginn @drroe @jrelliottoh @dcarls0n
The reviewer comments are in.
Here is the email LiveCoMS sent me (and maybe they sent it to some of you as well):
Dear Dr. Messerly,
Thank you for s…
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Hello! I have a question. I have been looking in the documentation and some open issues, but I haven't found the answer, so maybe you can either answer it or just point me to where it is.
Do you ha…
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Please change:
"radical.ensemblemd is a Python API and library for developing and running large-scale Molecular Dynamics (MD) workflows."
to:
"radical.ensemblemd is a Python API and library for de…
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Hi,
Can someone take a look at my recipe I added last week? It's been passing all the checks for a while.
#5282
vmd-python is Visual Molecular Dynamics built as a Python C extension. It's used…
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@ejmaginn @drroe @jrelliottoh @dcarls0n
Please upload a PDF with your suggested changes to the manuscript. After we have reviewed the suggestions, we will decide which ones to implement.
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I'm trying to update the OpenMM Amber forcefield conversion to use AmberTools 18 in https://github.com/choderalab/openmm-forcefields/pull/66 but am running into this error converting `leaprc.ff10`:
`…
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**Submitting author:** @vyasr (Vyas Ramasubramani)
**Repository:** https://bitbucket.org/glotzer/rowan
**Version:** v1.0.0
**Editor:** @labarba
**Reviewers:** @pdebuyl, @CorySimon
**Author instructi…
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@peastman and I discussed the potential for implementing something like the CHARMM [BLOCK](https://www.charmm.org/charmm/documentation/by-version/c40b1/params/doc/block/) facility for OpenMM to make i…
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Are we at the point in this document where we can do full read-throughs and suggest smaller changes to the content and structure of the document? I'm reading through the whole thing today and have su…
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**Submitting author:** @avimanyu786 (Avimanyu Bandyopadhyay)
**Repository:** https://github.com/avimanyu786/TrajectoryMergeAssist/
**Version:** v1.1.03
**Editor:** Pending
**Reviewer:** Pending
**Aut…