[gmx-users] it may b a bug.....i dont know

Mark Abraham Mark.Abraham at anu.edu.au
Tue Apr 17 00:39:52 CEST 2007

uma reddy wrote:
> 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
> yahoo at debian:~/gromacs/gromacs/tutor/speptide$ genbox -cp out -cs -p 
> speptide -0 b4em

>                                 :-)  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

> -------------------------------------------------------
> Program genbox, VERSION 3.3.1
> Source code file: statutil.c, line: 799
> Invalid command line argument:
> -0
> -------------------------------------------------------

Suggesting this is a bug is really quite silly. You've used "-0" 'dash 
zero' as a command line argument. Genbox has complained specifically 
about it, and presented the acceptable command line flags, which include 
'dash lowercase-o'. Computers are literal, and to use them successfully 
you must think in an orderly fashion and be attentive to detail. :-)


More information about the gromacs.org_gmx-users mailing list