[gmx-users] g_clustsize output

David van der Spoel spoel at xray.bmc.uu.se
Sat May 22 09:18:18 CEST 2010

On 2010-05-22 00.28, toma0052 at umn.edu wrote:
> Hello,
> Thanks for the response. g_clustsize outputs two xpm files of the
> weighted and non-weighted cluster size vs time. Is there another way for
> me to get number of clusters vs cluster size?
Not without programming, but since the information is there when the 
xpmp files are written that should not be too difficult.

> Thanks,
> Mike
> On May 20 2010, David van der Spoel wrote:
>> On 2010-05-20 04.55, toma0052 at umn.edu wrote:
>>> Hello,
>>> I have a system of dimers which spontaneously assemble into clusters. I
>>> would like to get a plot of the number of clusters of size s vs s. In
>>> looking at g_clustsize I am able to obtain the average number of
>>> clusters vs time, the average cluster size vs time and a histogram of
>>> the average number of molecules in a cluster of size s. Am I missing
>>> something? Is there a way for me to get the number of clusters of a
>>> particular size vs cluster size?
>>> Thanks,
>>> Mike Tomasini
>> g_clustsize will make an xpm plot for this as well, IIRC it is called
>> csize.xpm. You can turn it into eps using xpm2ps.

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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