[gmx-users] xdrf Fortran program and g_traj

Shaghayegh Vafaei SH650742 at Dal.Ca
Mon Nov 10 18:08:15 CET 2008

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 .


Chemical Engineering
Dalhousie University

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