On 08/22/2012 07:44 AM, Mark Abraham wrote:
I don't see how this relates to your claim that you computed a value
with GridMAT that doesn't relate to a value computed some other way.
Mark
And here is the results. As we can see The values is really low.
However, when I visulizaed the system in VMD, I don't find anything
weird. here is a snapshot for the system. As we can see from the figure,
how nice the system is. I cannot believe that the ALP is only 52.
https://dl.dropbox.com/u/56271062/sys.jpg
Ave APL = 52.1366827112516 sq. Ang
protein 5.0 1452.2710749424
Resid Z-value Area (sq. Ang.)
416 4.109 35.1355905228
417 3.069 35.1355905228
418 2.65 11.7118635076
419 3.121 58.559317538
420 4.014 35.1355905228
421 3.659 81.9830445532
422 3.511 46.8474540304
423 3.443 46.8474540304
424 4.091 46.8474540304
425 3.55 35.1355905228
426 3.873 23.4237270152
427 3.679 70.2711810456
428 3.612 70.2711810456
429 3.175 46.8474540304
430 3.916 35.1355905228
431 3.423 58.559317538
432 3.004 93.6949080608
433 2.587 11.7118635076
434 3.229 81.9830445532
435 3.426 23.4237270152
436 3.186 93.6949080608
437 2.969 46.8474540304
438 3.144 93.6949080608
439 3.553 70.2711810456
440 3.702 46.8474540304
441 3.446 23.4237270152
442 3.194 81.9830445532
443 3.576 70.2711810456
444 3.141 70.2711810456
445 2.675 58.559317538
446 3.505 105.4067715684
447 3.516 70.2711810456
448 3.414 70.2711810456
449 3.741 35.1355905228
450 3.298 35.1355905228
451 3.033 35.1355905228
452 3.976 58.559317538
453 3.71 58.559317538
454 3.694 23.4237270152
455 3.566 70.2711810456
456 3.391 58.559317538
457 3.388 81.9830445532
458 2.808 46.8474540304
459 3.96 58.559317538
460 2.897 11.7118635076
461 3.719 46.8474540304
462 3.917 93.6949080608
463 3.788 46.8474540304
464 3.907 105.4067715684
465 3.854 46.8474540304
466 3.15 23.4237270152
467 3.441 58.559317538
468 2.862 23.4237270152
469 3.495 11.7118635076
470 3.304 23.4237270152
471 3.449 23.4237270152
472 3.86 46.8474540304
473 3.256 70.2711810456
474 3.282 46.8474540304
475 4.196 46.8474540304
476 3.498 46.8474540304
477 3.03 46.8474540304
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