[gmx-users] Section 5.3.3 in manuals 3.3, 4.0, 4.5 - Old description of format of atomtyoes

João M. Damas jmdamas at itqb.unl.pt
Thu Sep 2 22:25:52 CEST 2010


I don't know if this is better sent here or the developers mailing list, but
here it goes:

The format of the [atomtypes] section in the ffG****nb.itp (from gmx
versions greater than 3.2.1) includes the at. number column, while none of
the sections of the corresponding manuals (section 5.3.3) have the "new"
format described. The format is quite intuitive, but maybe the manuals
should be corrected to reflect the correct format?


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