[gmx-users] problems in rtp while runing pdb2gmx

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 25 13:30:02 CET 2008

>   I've got this error
>   -------------------------------------------------------
> Program pdb2gmx_d, VERSION 3.3.2
> Source code file: resall.c, line: 289
>   Fatal error:
> in .rtp file at line:
> -------------------------------------------------------
>   Something is wrong with my rtp, but I have no clue what (maybe impropers or
> bonds). Thank you in advance

I don't know how to fix your .rtp file, but generally it's a good idea to leave
this file alone.  Instead, perhaps you should create a drg.itp file for your
molecule.  If you've already invested time in preparing an .rtp entry, creating
a .itp file should be relatively straightforward.  Have a look at Chapter 5 in
the manual.


> ---------------------------------
> 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