[gmx-users] RMSD Matrix error
Apramita Chand
apramita.chand at gmail.com
Sun Jun 4 16:08:10 CEST 2017
Dear All,
When I'm trying to construct a RMSD matrix , using the command
g_rms -s protein_equili.gro -f protein_model1_ut.xtc -m
rmsd-matrix.xpm -tu ns
I get the error:
Last frame 200000 time 20.000
Building RMSD matrix, 200001x200001 elements
element 28982; time 2.90 Killed
I have given the reference structure to be the one prior to production run
and after equilibration step. I have also tried the command with .tpr file.
Same error!
How to solve this?
yours sincerely
Apramita
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