[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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