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Warnings in gmx grommp with dice2gromacs input #7

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hmcezar opened this issue Sep 16, 2021 · 0 comments
Open

Warnings in gmx grommp with dice2gromacs input #7

hmcezar opened this issue Sep 16, 2021 · 0 comments
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enhancement New feature or request

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hmcezar commented Sep 16, 2021

It looks like the .gro generated by dice2gromacs does not label the atoms correctly, leading to warnings on GROMACS

Example files attached below.

nkx2553.zip
@hmcezar hmcezar self-assigned this Sep 16, 2021
@hmcezar hmcezar added the enhancement New feature or request label Sep 16, 2021
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