[gmx-users] help with g_hydorder and g_polystat
jalemkul at vt.edu
Wed May 1 23:58:43 CEST 2013
On 5/1/13 8:44 AM, Emmanuel, Alaina wrote:
> No, using a trajectory file with g_hydorder hasn't made any difference. The error is still the same.
> When I use g_polystat, I use the following command:
> g_polystat_d -f file.xtc -s file.tpr -n polymer_backbone.ndx -p persist.xvg -o polystat.xvg
> Note: Using "polymer_backbone.ndx" yields fewer polymers with nan issues, than using the whole polymer structure in an index file.
The g_hydorder problem is a bug in the code and I have filed a bug report on
Redmine. I have no insight into what's going on with g_polystat, sorry.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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