[gmx-users] error in .gro file

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 25 19:57:55 CET 2008

Quoting Egidijus Kuprusevicius <ekuprusevicius at yahoo.com>:

> Dear all,
>   I have tried to avoid using pdb2gmx and created manualy gro file and
> included my own itp in top file (itp file is the same as that who was
> included in rtp (in previous message 'error in rtp file')). I still having an
> error:
>   -------------------------------------------------------
> Program genbox_d, VERSION 3.3.2
> Source code file: statutil.c, line: 797
>   Invalid command line argument:
> dgr.gro
> -------------------------------------------------------

That means genbox is looking for an argument (-something), and you're not
providing it.  Look closely at what the command is you're issuing.  Does it
contain the appropriate -cp, -cs, etc?


> do I need to change something in my itp or gro? I do not know what causes
> such an error (the same is true and with a previous error - unknown origin).
> If anybody could help me, I will be very thankfull.
> ---------------------------------
> Looking for last minute shopping deals?  Find them fast with Yahoo! Search.


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list