[gmx-users] Remove all but N closest water molecules from protein

Jose Borreguero borreguero at gmail.com
Thu Jun 8 02:49:00 CEST 2017


Dear Gromacs users,

I'm a newbie with Gromacs. Is there a Gromacs native tool that will allow
me to create a new *.gro file containing the protein and the N closest
water molecules to the protein
​, starting from a system of a solvated protein​
?

Best,
Jose Borreguero


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