GROMACS version:2023
GROMACS modification: Yes
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Hi everyone
Recently a study has revealed that with the defaults, all of GROMACS barostats are broken. As an inexperienced user, my question is whether any such information is available to the gromacs community? if yes, what are the ways to solve this problem?
Attaching herewith the link of the published paper. Neighbor List Artifacts in Molecular Dynamics Simulations | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage