[gmx-users] g_clustsize -mol

Dagmar Floeck d.floeck at caspur.it
Mon Sep 13 17:54:24 CEST 2004

dear gromacs-users,

it seems there is a bug in the g_clustsize routine in the gromacs 3.2.1
when you clusterize molecules (-mol option) sometimes some of the
analysis output (csize.xpm) is wrong and even impossible (like having
the simulation time one cluster of each size (1 molecule, 2
molecules......)....even though the total number
exceeds you total number of molecules...)
has anyone noticed this yet or maybe found a way around it? :-)

thanks for your help

-------------- next part --------------
A non-text attachment was scrubbed...
Name: floeck.vcf
Type: text/x-vcard
Size: 385 bytes
Desc: Card for Dagmar Floeck
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040913/86833177/attachment.vcf>

More information about the gromacs.org_gmx-users mailing list