[gmx-developers] [PATCH] NEW tool g_correlation

Alexey Shvetsov alexxyum at gmail.com
Tue Jun 15 01:35:05 CEST 2010


Hi,

I write small utility to compute Pearson's product-moment coefficients for
groups of atoms from md trajectory. This tool reads trajectory and constructs
correlation matrix of atomic displacements between 2 index groups.

Patch againts git master attached here and to gromacs bugzilla
(http://bugzilla.gromacs.org/show_bug.cgi?id=438)
Use git am to apply it  =)


--
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, 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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 0001-Add-new-tool-g_correlation.-This-tool-computes-Pears.patch
Type: application/octet-stream
Size: 14650 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20100615/fe8d3014/attachment.obj>


More information about the gromacs.org_gmx-developers mailing list