[AMBER] plot in xmgrace (interaction energy per residues)

From: Arunima Shilpi <writetoash28.gmail.com>
Date: Mon, 2 Jun 2014 12:15:18 +0530

Dear Sir

I did try to plot the interaction energies per residue in xmgrace as per
the instructions provided in the last mail but still I am unable to plot
the graph.



I request you to kindly guide me in plotting of the graph in xmgrace.


Here is the detail of the residues

 Residue Van der waals Electrostatic Polar Solvation Non-Polar Solvation
TOTAL CYS45 0 0 0.005 0.004 -0.004 0.004 0 0 0.001 0.001 ASP451 -0.053
0.008 -0.783 0.761 0.368 0.798 0 0 -0.469 0.13 PHE453 -3.569 0.492 -1.71
0.562 2.189 0.491 -0.267 0.028 -3.357 0.627 SER454 -1.05 0.279 0.344 0.87
-0.387 0.477 -0.053 0.022 -1.146 0.457 LEU459 -0.192 0.098 0.063 0.16 0.078
0.176 -0.002 0.003 -0.053 0.095 ILE475 -0.538 0.169 -0.03 0.139 0.269 0.112
-0.012 0.007 -0.311 0.184 GLU476 0.46 1.148 -21.217 1.668 13.246 1.423
-0.136 0.024 -7.648 1.521 MET477 -2.658 0.446 -0.219 0.686 0.061 0.378
-0.25 0.04 -3.065 0.576 TRP478 -1.085 0.216 0.634 0.362 0.072 0.136 -0.132
0.019 -0.512 0.335 ASP498 -0.364 0.671 -6.016 1.185 3.628 0.919 -0.039
0.023 -2.791 0.873 CYS499 -0.773 0.5 -2.84 0.86 0.924 0.295 -0.038 0.013
-2.729 0.609 ASN500 -0.26 0.109 0.547 0.362 -0.25 0.215 -0.002 0.006 0.034
0.337 GLY530 -0.1 0.018 0.444 0.177 -0.074 0.143 0 0 0.27 0.104 GLY531
-0.844 0.363 -1.831 0.653 2.249 0.312 -0.077 0.018 -0.504 0.483 GLU574
1.199 1.036 -18.284 4.04 8.799 1.91 -0.045 0.016 -8.332 2.481 ASN882 -0.615
0.283 -0.07 0.556 0.427 0.558 -0.062 0.038 -0.32 0.365 ALA883 -0.528 0.273
-1.573 0.588 1.054 0.328 -0.057 0.022 -1.104 0.433 VAL884 -0.639 0.271
-0.324 0.429 0.208 0.185 -0.019 0.011 -0.775 0.419
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Received on Mon Jun 02 2014 - 00:00:02 PDT
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