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

João M. Damas jmdamas at itqb.unl.pt
Fri Oct 2 15:22:47 CEST 2015

How are you defining the GMXLIB variable in your script? Please give us
some more information (inputs and outputs) for us to be able to help you.


On Thu, Oct 1, 2015 at 9:21 PM, Ebert Maximilian <m.ebert at umontreal.ca>

> 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?
> Thanks
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João M. Damas
PhD Student
Protein Modelling Group
ITQB-UNL, Oeiras, Portugal

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