On 3/10/2011 1:55 PM, Dr. Vitaly V. Chaban wrote:
According to the description of the g_clustsize utility, it should
create the file "temp.xvg" containing the temperature of the largest
cluster versus time. While other files from g_clustsize are created
correctly, the "temp.xvg" is always empty. What is printed follows:
-------------------------------------------------------------------------------
# This file was created Sun Oct 2 21:08:45 2011
# by the following command:
# g_clustsize -n index.ndx
#
# g_clustsize is part of G R O M A C S:
#
# Good ROcking Metal Altar for Chronical Sinners
#
@ title "Temperature of largest cluster"
@ xaxis label "Time (ps)"
@ yaxis label "T (K)"
@TYPE xy
-------------------------------------------------------------------------------
The invocation line is: g_clustsize -n index.ndx
Did anybody see this function working? I am using 4.0.7 version.
Does your trajectory have velocities?
Mark
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