Re: [gmx-users] channel size calculation between active site lid

You can use program called HOLE: http://d2o.biop.ox.ac.uk:38080//, it can calculate the pore profile of your channel. raja wrote: Hi all, I followed center of mass (COM) between lids region (two loops covering the entrance of active site) during simulation to see its action of opening and clos

[gmx-users] channel size calculation between active site lid

Hi all, I followed center of mass (COM) between lids region (two loops covering the entrance of active site) during simulation to see its action of opening and closing. Normally COM varies for all simulation of my protein (Wild and its mutant variant) is between 17A to 20A. Now I want to find out t