[gmx-developers] How to get acces to t_atom data using new analysys framework

Roland Schulz roland at utk.edu
Thu Jan 31 05:15:01 CET 2013


Hi,

untested but should work:

initAnalysis(const TrajectoryAnalysisSettings &, const TopologyInformation
&top)  {
 top->topology()->atoms;
}

Roland


On Wed, Jan 30, 2013 at 6:09 AM, Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru>wrote:

> Hi all!
>
> What is the easyest way to get access to t_atom data from topology using
> new
> analysys framework?
> --
> Best Regards,
> Alexey 'Alexxy' Shvetsov
> Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
> Gatchina, Russia
> Department of Molecular and Radiation Biophysics
> Gentoo Team Ru
> Gentoo Linux Dev
> mailto:alexxyum at gmail.com
> mailto:alexxy at gentoo.org
> mailto:alexxy at omrb.pnpi.spb.ru




-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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