Hello, 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? Regards, João -- João M. Damas PhD Student Protein Modelling Group ITQB-UNL, Oeiras, Portugal Tel:+351-214469613
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