<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:10pt"><div>hi,<br>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 <br><br>yahoo@debian:~/gromacs/gromacs/tutor/speptide$ <span style="font-weight: bold;">genbox -cp out -cs -p speptide -0 b4em</span><br> :-) G R O M A C S (-:<br><br> S C A M O R
G<br><br> :-) VERSION 3.3.1 (-:<br><br><br> Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.<br> Copyright (c) 1991-2000, University of Groningen, The Netherlands.<br> Copyright (c) 2001-2006, The GROMACS development team,<br><span> check out <a target="_blank" href="http://www.gromacs.org">http://www.gromacs.org</a> for more information.</span><br><br> This program is free software; you can redistribute it and/or<br> modify it under the terms of the GNU General Public
License<br> as published by the Free Software Foundation; either version 2<br> of the License, or (at your option) any later version.<br><br> :-) genbox (-:<br><br>Option Filename Type Description<br>------------------------------------------------------------<br> -cp out.gro Input, Opt! Generic structure: gro g96 pdb tpr tpb
tpa<br> xml<br> -cs spc216.gro Input, Opt!, Lib. Generic structure: gro g96 pdb tpr tpb<br> tpa xml<br> -ci insert.gro Input, Opt. Generic structure: gro g96 pdb tpr tpb tpa<br> xml<br> -o out.gro Output
Generic structure: gro g96 pdb xml<br> -p speptide.top In/Out, Opt! Topology file<br><br> Option Type Value Description<br>------------------------------------------------------<br> -[no]h bool no Print help info and quit<br> -[no]X bool no Use dialog box GUI to edit command line options<br> -nice int 19 Set the nicelevel<br> -box vector 0 0 0 box size<br> -nmol int 0 no of extra molecules to insert<br> -try int 10 try inserting -nmol*-try
times<br> -seed int 1997 random generator seed<br> -vdwd real 0.105 default vdwaals distance<br> -shell real 0 thickness of optional water layer around solute<br> -maxsol int 0 maximum number of solvent molecules to add if<br> they fit in the box. If zero (default) this is<br> ignored<br><br>-------------------------------------------------------<br>Program genbox, VERSION
3.3.1<br>Source code file: statutil.c, line: 799<br><br><br>Invalid command line argument:<br>-0<br>-------------------------------------------------------<br><br>for the quiery in the first line. pls help me. i am using GROMACS in debian.<br><br>thanking you<br>umamaheswar reddy<br></div></div><br>
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