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

Barnett, James W jbarnet4 at tulane.edu
Sat Oct 3 05:55:15 CEST 2015

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 GROMACS
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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