Hi Lipi, What do you mean saying that the coordinates are random?
You can access the coordinates of the particular atom with x_xtc[i][j], where "i" is a number of atom in a system, "j[0]" - is x-coord, j[1] - y-coord, j[2] - z-coord. The same logic relates to reading trr files. Vitaly > > I have downloaded xdr library to read .xtc files. > > The installation of the xdrlibrary worked without any problems. The > compilation of the test program "trr2xtc.c" also worked. > > Now I'm trying to store the coordinates of a xtc trajectory into a local > variable. I first tried to print out the coordinates. I just modified the > trr2xtc code. Here a few line of my code: > > xd_read = xdrfile_open(rfile, "r"); > x_xtc = calloc(natoms_xtc, sizeof (x_xtc[0])); > result_xtc = read_xtc(xd_read, natoms_xtc, &step_xtc, &time_xtc, box_xtc, > x_xtc, &prec_xtc); > printf("%f %f %f\n",x_xtc[0],x_xtc[1],x_xtc[2]); > > The coordinates in the variable x_xtc seems to be random. How do I access > the proper coordinates from the trajectory? > > I would appreciate any help. > > > Thanks, > Lipi -- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, cell.: +38-097-8259698 http://www-rmn.univer.kharkov.ua/chaban.html =================================== !!! Looking for a postdoctoral position !!! =================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php