Dear Hamid, Thank you for your reply.
I have had this question in dl_poly for analyzing my outputs but I could not do it. I could not compile related code. Now, I want to analyze my outputs from gromacs. I think there are not any post processing options in gromacs for doing this. Am I right? Besides, In VMD I have written a tcl code for doing it but I can extract every COM in every frame. So I do not know how I can implement time averaging. Hamid wrote: Dlpoy or gromacs? On Mon, Dec 30, 2013 at 3:49 PM, Ali Alizadeh <ali.alizadehmoja...@gmail.com > wrote: > > Dear All users, > > I want to calculate the number density profile for COM of my residues. > They are located > > on a surface. Are there any options for counting COMs respect to that > surface? > -- > Sincerely > > Ali Alizadeh > > -- Sincerely Ali Alizadeh University of Tehran College of engineering(Fanni) Department of chemical engineering IPE (Institute of Petroleum Engineering) M.Sc Candidate, class of 2013 B.Sc Graduate 2011(University of Tehran,Fanni) -- 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.
