[gmx-users] Insert molecules in system with minimum distance between them

Ebert Maximilian m.ebert at umontreal.ca
Wed Sep 30 18:16:52 CEST 2015


Dear list,

I am trying to add n-number of molecules in my prepare protein+water+ions box but keep a minimum distance of 1 nm in all directions between the newly inserted molecules. On top of that I want to replace solvent molecules with the newly added molecules. So basically I am looking for gmx genion with the -rmin flag for non ions.
Which tool could I use?

Thanks,
Max


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