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normal "Parametrizing a small molecule" tutorial missing spc162.gro

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2 years 10 months ago - 2 years 10 months ago #8974 by jlillard
"Parametrizing a small molecule" tutorial missing spc162.gro was created by jlillard
I have been attempting to run the "Parametrizing a new small molecule" tutorial for Martini3. However, the file "spc216.gro" (the input file for the water molecules) is absent from the tutorial package. Where can this be found?
Last edit: 2 years 10 months ago by jlillard.

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2 years 10 months ago #8978 by riccardo
Replied by riccardo on topic "Parametrizing a small molecule" tutorial missing spc162.gro
That's the default solvent - water - so Gromacs provides that file. Just run the "gmx solvate" command and you will see that it works.

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  1. General topics
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  5. "Parametrizing a small molecule" tutorial missing spc162.gro
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