On 2011-03-27 16.42, devicerandom wrote:
Hi,
I am trying to use g_clustsize to follow aggregation of peptides. I am
currently using the following line:
g_clustsize -f my.trr -s ../my.tpr -nc nclusters.xvg -mol
Problem is, it actually counts monomers as clusters. I have a system
with 125 separate molecules, and the number of clusters starts from 125.
What can I do to indicate a minimum cluster size?
m.
What does it matter? Just simulate longer until you get two peptides to
aggregate. Check eg. maxclust.xvg.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
[email protected] http://folding.bmc.uu.se
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