VMD-L Mailing List

From: Sanjay Kumar Paul (sanjaykumarpaul_at_rammohancollege.ac.in)
Date: Thu Aug 31 2023 - 04:06:46 CDT

While generating porcupine plot on two extreme projections...I am not
getting results.

Tk console abstract :
loading history file ... 19 events added
Main console display active (Tcl8.5.6 / Tk8.5.6)
(PCAcontrol) 20 % play PorcupinePlot.tcl
>Main< (PCAcontrol) 21 % atomselect top "name CA"
atomselect0
>Main< (PCAcontrol) 22 % atomselect top "name CA"
atomselect1
>Main< (PCAcontrol) 23 % porcupineplot::Diff atomselect1 atomselect0
running through 494 residues
drawing arrows for distances between 0.0 and 0.0 (colors from scheme BGR)
done
>Main< (PCAcontrol) 24 %

The distance is showing 0.0.....thats why I think.

The procedure that I have followed is as follows...

gmx anaeig -v eigenvec.trr -f md_100_center.xtc -s md_100.tpr -extr
extreme1.pdb -first 1 -last 2 -nframes 50

* then I get two .pdb file - extreme11 and extreme12..each containing 50
frames.

I copied 1st frames from each to define first_frame.pdb and last_frame.pdb

Please help me...thanks in advance

Sanjay Kumar Paul