[gmx-users] g_clustsize and temp.xvg

[Mark Abraham]

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