Dear all,
I am having a problem in running some post analysis commands like g_rdf on
my computer . When my simulation is complete I type in the following command
to calculate the radial distribution function for the system " g_rdf -f
traj.trr -s topol.tpr -o rdf.xvg -b 0 -e 20 " and the program gives a
message like this
:-) G R O M A C S (-:
Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
:-) VERSION 3.3.1 (-:
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2006, The GROMACS development team,
check out http://www.gromacs.org for more information.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
:-) g_rdf (-:
Select a reference group and 1 group
Opening library file /usr/share/gromacs/top/aminoacids.dat
Group 0 ( System) has 648 elements
Group 1 ( SOL) has 648 elements
Select a group: 1
Selected 1: 'SOL'
Select a group: 1
Selected 1: 'SOL'
trn version: GMX_trn_file (single precision)
Reading frame 0 time 0.000
After displaying this line the program does nothing further . I checked for
the installation of g_rdf and found it to be installed . My simulation was
completed and for command like "trjconv" can read all the frames . Then why
is "g_rdf" command failing to read all the frames?
eagerly waiting for a reply.
Avinash Kumar
3rd year undergraduate
IIT Khragpur,India
Mechanical Engineering Department
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