Hello , I performed a air water interface simulation and need to analyze water dynamics at interface. Can anyone tell me how to fix one water molecule in inteface region (z axis in two dimensional slab of 3 angstrom)? Problem is that often molecule moves into the bulk in few ps. If i can fix a molecule in region for entire simulation, it would be easier to sample the properties.
Best regards DeepaK Ojha School Of Chemistry "Selfishness is not living as one wishes to live, it is asking others to live as one wishes to live" -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
