[gmx-developers] explanation of gmx rdf

[isimuly]

Hi developers,


Recently, I use gmx rdf command to calculate the RDFs. However, I am confused by

" -selrpos <enum>            (atom)
           Selection reference positions: atom, res_com, res_cog, mol_com,
           mol_cog, whole_res_com, whole_res_cog, whole_mol_com,
           whole_mol_cog, part_res_com, part_res_cog, part_mol_com,
           part_mol_cog, dyn_res_com, dyn_res_cog, dyn_mol_com, dyn_mol_cog
 -seltype <enum>            (atom)
           Default selection output positions: atom, res_com, res_cog,
           mol_com, mol_cog, whole_res_com, whole_res_cog, whole_mol_com,
           whole_mol_cog, part_res_com, part_res_cog, part_mol_com,
           part_mol_cog, dyn_res_com, dyn_res_cog, dyn_mol_com, dyn_mol_cog

"
what the different res_com, mol_com, part_res_com, mol_cog, and so on? Where could I find some material about their difference?


Best



Isimuly



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