[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

========================================



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