I need help with this problem , after finishing the remd simulation and getting the average probability number that are
Replica exchange statistics
Repl 2712 attempts, 1356 odd, 1356 even
Repl average probabilities:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
Repl .23 .24 .23 .26 .27 .29 .31 .29 .33 .32 .32 .34 .33 .34 .35 .36 .36 .38 .38 .39 .41 .41 .40 .41 .43 .41
Repl number of exchanges:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
Repl 309 306 316 349 390 395 432 410 440 441 448 465 422 471 479 474 470 509 518 528 539 546 536 568 591 567
Repl average number of exchanges:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
Repl .23 .23 .23 .26 .29 .29 .32 .30 .32 .33 .33 .34 .31 .35 .35 .35 .35 .38 .38 .39 .40 .40 .40 .42 .44 .42
I want to do the Remd analysis trying to find the most stable conformation structure of my peptide so my question is should I do the continues trajectory from all parallel remd simulation outputs or do I have to work with the remd folders in separate