[gmx-users] GMXLIB does not induce residuetype.dat

João M. Damas jmdamas at itqb.unl.pt
Sat Oct 3 19:03:53 CEST 2015

The definition seems fine. In the pdb2gmx standard output, you should check
that directory is the one being opened.

If it is, please do a "ls ${GMXLIB}" and check the output, if the file is
there (and not inside the ff directory). Even though I am guessing this is
just a typo problem, and you are using "residuestype.dat" while the file is


On Sat, Oct 3, 2015 at 4:55 AM, Barnett, James W <jbarnet4 at tulane.edu>

> On Thu, 2015-10-01 at 20:21 +0000, Ebert Maximilian wrote:
> > Dear list,
> >
> > I have my own force field working folder so I cloned the entire top
> folder to
> > no mess with the original files. I added residues to the residue type
> file to
> > add my residues to the protein group. My FF is included due to the GMXLIB
> > environmental variable but my modified residuestype.dat not. Any idea
> why?
> Can you give an example of how it is not included? Is there a specific
> command that is not finding it, or is it something else?
> --
> James “Wes” Barnett, Ph.D. Candidate
> Louisiana Board of Regents Fellow
> Chemical and Biomolecular Engineering
> Tulane University
> 341-B Lindy Boggs Center for Energy and Biotechnology
> 6823 St. Charles Ave
> New Orleans, Louisiana 70118-5674
> jbarnet4 at tulane.edu
> --
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João M. Damas
PhD Student
Protein Modelling Group
ITQB-UNL, Oeiras, Portugal

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