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how to add other ligands that do not require FEP calculations? #128

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aw10279 opened this issue Nov 17, 2023 · 1 comment
Open

how to add other ligands that do not require FEP calculations? #128

aw10279 opened this issue Nov 17, 2023 · 1 comment

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@aw10279
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aw10279 commented Nov 17, 2023

If there are other ligands in the system that do not require FEP calculations, should their coordinates be included in the protein's pdb file or other file? What command should be executed after modification, and where should its itp file be placed to be used correctly?
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aw10279 commented Nov 17, 2023

@luancarvalhomartins

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