[gmx-users] g_spatial

Nilesh Dhumal ndhumal at andrew.cmu.edu
Thu May 13 19:14:43 CEST 2010


Hello,
I am trying to calculate spatial distribution function (SDF) for my system.
I have defined the residue name of solute (its glucose, one glucose
molecule) and solvent (its cations of ionic liquids, 128 cations) by group
numbers.
During the g_spatial calculation can I select this group numbers to define
solute and solvent?


Thanks

Nilesh










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