On 2/20/13 12:46 AM, Hector Manuel Manzanilla Granados wrote:
Excuseme dear Dr. Tomas, forgiveme the boldness,
I'm new with this, and I dont know who to address
when I have a problem. My name is Hector, and I'm
tryng to install the gromacs software in my computer;
I follewed all the steps in the online manual, however
when I compile Gromacs with the instruction: ngmx, I receiveç
the following sentence:
Please don't hijack existing threads with unrelated questions. Start a new
thread by sending a new mail to [email protected].
:-) G R O M A C S (-:
Glycine aRginine prOline Methionine Alanine Cystine Serine
:-) VERSION 4.0.7 (-:
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2008, 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.
:-) ngmx (-:
Option Filename Type Description
------------------------------------------------------------
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input Run input file: tpr tpb tpa
-n index.ndx Input, Opt. Index file
Option Type Value Description
------------------------------------------------------
-[no]h bool no Print help info and quit
-nice int 0 Set the nicelevel
-b time 0 First frame (ps) to read from trajectory
-e time 0 Last frame (ps) to read from trajectory
-dt time 0 Only use frame when t MOD dt = first time (ps)
-------------------------------------------------------
Program ngmx, VERSION 4.0.7
Source code file: ../../../../src/gmxlib/gmxfio.c, line: 737
Can not open file:
topol.tpr
-------------------------------------------------------
"It's Calling Me to Break my Bonds, Again..." (Van der Graaf)
I don't understand what to do with this, may be you can get me a hint,
You haven't provided any input for ngmx to use, so it's trying to use default
file names for the required input. You must supply suitable files that you want
to visualize using -s and -f. Please do some basic Gromacs tutorial material to
get yourself used to a normal workflow, expected options for common commands,
etc. For what it's worth, there are far better visualization programs available
(for free) that surpass ngmx in terms of features.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
