hi,
i am beginer to GROMACS. i am using the examples provided in the gromacs site.
when i try to generate solvent model for speptide of ribonuclese s peptide then
i encounter a problem stating
[EMAIL PROTECTED]:~/gromacs/gromacs/tutor/speptide$ genbox -cp out -cs -p
speptide -0 b4em
:-) G R O M A C S (-:
S C A M O R G
:-) 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.
:-) genbox (-:
Option Filename Type Description
------------------------------------------------------------
-cp out.gro Input, Opt! Generic structure: gro g96 pdb tpr tpb tpa
xml
-cs spc216.gro Input, Opt!, Lib. Generic structure: gro g96 pdb tpr tpb
tpa xml
-ci insert.gro Input, Opt. Generic structure: gro g96 pdb tpr tpb tpa
xml
-o out.gro Output Generic structure: gro g96 pdb xml
-p speptide.top In/Out, Opt! Topology file
Option Type Value Description
------------------------------------------------------
-[no]h bool no Print help info and quit
-[no]X bool no Use dialog box GUI to edit command line options
-nice int 19 Set the nicelevel
-box vector 0 0 0 box size
-nmol int 0 no of extra molecules to insert
-try int 10 try inserting -nmol*-try times
-seed int 1997 random generator seed
-vdwd real 0.105 default vdwaals distance
-shell real 0 thickness of optional water layer around solute
-maxsol int 0 maximum number of solvent molecules to add if
they fit in the box. If zero (default) this is
ignored
-------------------------------------------------------
Program genbox, VERSION 3.3.1
Source code file: statutil.c, line: 799
Invalid command line argument:
-0
-------------------------------------------------------
for the quiery in the first line. pls help me. i am using GROMACS in debian.
thanking you
umamaheswar reddy
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