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lines changed Original file line number Diff line number Diff line change @@ -101,8 +101,8 @@ Create the topology file
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From the `same atb
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page <https://atb.uq.edu.au/molecule.py?molid=902261#panel-md> `__,
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- copy the ` 'GROMACS G54A7FF All-Atom (ITP
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- file)' <https://raw.githubusercontent.com/gromacstutorials/gromacstutorials.github.io/main /inputs/ethanoladsorption/preparation/ff/BIPQ_GROMACS_G54A7FF_allatom.itp> `__
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+ copy the
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+ ` 'GROMACS G54A7FF All-Atom (ITP file)' <https://raw.githubusercontent.com/gromacstutorials/gromacstutorials.github.io/version2.0/docs /inputs/ethanoladsorption/preparation/ff/BIPQ_GROMACS_G54A7FF_allatom.itp >`__
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and place it in a folder named 'ff/' and located
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within the 'preparation/' folder. Within 'ff/',
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download as well the GROMACS top file named `Gromacs
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