[gmx-users] Section 5.3.3 in manuals 3.3, 4.0, 4.5 - Old description of format of atomtyoes
Justin A. Lemkul
jalemkul at vt.edu
Fri Sep 3 12:55:00 CEST 2010
João M. Damas wrote:
> 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?
>
I have entered a fix into the manual in development. Thanks for reporting.
-Justin
> Regards,
> João
>
> --
> João M. Damas
> PhD Student
> Protein Modelling Group
> ITQB-UNL, Oeiras, Portugal
> Tel:+351-214469613
>
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
More information about the gromacs.org_gmx-users
mailing list