Hi all, I was wondering if somebody has worked or used the xdrf Fortran program in order to read the coordinates from a .xtc file. There are 6 errors after compiling the program . The subroutines are not included there and I couldn't find them in the links -> http://hpcv100.rc.rug.nl/xdrf.html , http://hpcv100.rc.rug.nl/xdrfman.html .
I am simulating a solution in a confinement between two parallel walls and I want to check how many molecules are adsorbed to the walls. Therefore, I am trying to write a program to keep track of the molecules coordinates. Has anybody done something like this before? Did anybody use g_traj to read the coordinates? I can't understand what has been plotted, although I tried to plot z-component but the result of z-component is the same as that of x-component. I really appreciate if anybody can help me . Shaqa, MASc. Chemical Engineering Dalhousie University _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
