Dear AMBER users:
I have a problem when I use ptraj to generate average rst, my script is:
trajin ../md_2ns.mdcrd 901 2000 1
trajin ../md_4ns.mdcrd 1 500 1
average try.rst rest
however, the try.rst I obtained is blank, and the other file I obtained is try.rst.-1,
in this file, it has 32861 lines, but half lines are zero,
25.5951519 44.7754687 22.3474406 50.3864831 25.5809188 27.2086881
50.3442831 25.5735087 27.2665069 50.3215113 25.5829031 27.1543325
52.1104419 21.8720787 21.5824119 52.0594125 21.8816175 21.5723463
52.0626756 21.9141156 21.5802150 32.2367956 32.0748888 32.8293856
32.2249088 32.0630081 32.8322425 32.2488594 32.0415369 32.8376406
14.4680569 46.3308113 42.7791737 14.3932494 46.2947350 42.6693569
14.4375475 46.3275306 42.7272431 20.4187419 24.0242969 14.1587294
20.4322687 24.0371150 14.1556425 20.4858644 24.0311850 14.1781356
24.9348712 34.8871413 35.5328775 24.9939738 34.8417812 35.5628450
24.9477994 34.8958863 35.4930575 33.5284019 28.3382969 45.0502275
33.4624163 28.3555844 45.0685312 33.5087231 28.3114794 44.9913869
20.9946588 19.4927956 52.4547031 20.9958838 19.4624225 52.4899881
20.9616275 19.5553131 52.5098069 44.5942200 15.3641644 50.9156194
44.5173356 15.3975113 50.8492600 44.5626656 15.4062538 50.8670531
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
what's problem with it? How to obtain right average rst?
--
Thanks for your attention!
Best wishes !
================================================
Yuan Zhao
State Key Lab for Phys. Chem. of Solid Surf.
& Dept. of Chem.
Xiamen University, Xiamen 361005, CHINA
Email: zhaoyuanchem.stu.xmu.edu.cn
================================================
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 07 2013 - 21:30:02 PDT
