[gmx-users] how to remove some molecules

niaz poorgholami poorgholami at gmail.com
Tue Jul 23 11:40:12 CEST 2013

Dear gmx-users
I would like to calculate the PMF in a system composed of
nanotube+surfactants. for doing this I use the final configuration of
previous surfactant adsorption simulation onto carbon nanotube. the problem
is I want to remove some of  non-adsorbed surfactant molecules. Would you
please help me how I can do that? any help would be highly appreciated.

More information about the gromacs.org_gmx-users mailing list