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P180_enghomeoGB

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mrm1957 said:
Anybody had or done this one it is 10 frames :

P180_enghomeoGB

about all i can tell you is ths:

Project 180 examines the folding of new mutants of the Engrailed Homeodomain, a great model system to understand folding and misfolding.

no other info has been released yet and they appear to be big :D

FOLD ON
NAS
 
Anybody have a guess as to how long to do a frame?

My comp. has been working ? for a half hour and it's still showing 0/10, 0%
 
25 mins per frame?

:( :( :(

it's taking nearly 2 hours per frame on my celeron @1600mhz.

which is very strange.
it only takes 15 mins per frame to do one of those huge p146 WU's.
 
Here is the progress of the protein/gromac. hope this sheds some light :)

9] Protein: p180_enghomeoGB
[23:01:49] - Run: 5 (Clone 68, Gen 0)
[23:01:49] - Frames Completed: 0, Remaining: 10
[23:01:49] - Dynamic steps required: 500000
[23:01:49]
[23:01:49] Writing local files:
[23:01:49]
[23:01:49] parameters work/wudata_02.prm
[23:01:49] - Writing "work/wudata_02.key": (overwrite)successful.
[23:01:49] - Writing "work/wudata_02.xyz": (overwrite)successful.
[23:01:49] - Writing "work/wudata_02.prm": (overwrite)successful.
[23:01:50] - Writing "work/wudata_02.key": (append)successful.
[23:01:50]
[23:01:50] PROJECT="work/wudata_02", NSTEPS=500000, DT=2.0000, DTDUMP=100.000000, TEMP=308.00
[23:01:50] TINKER: Software Tools for Molecular Design
[23:01:50] Version 3.8 October 2000
[23:01:50] Copyright (c) Jay William Ponder 1990-2000
[23:01:50] portions Copyright (c) Michael Shirts 2001
[23:01:50] portions Copyright (c) Vijay S Pande 2001
[00:25:11] Finished a frame (1)
[01:55:57] Finished a frame (2)
[03:30:07] Finished a frame (3)
My bad .. its been a long week :(.. sorry for confusion
 
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all three of my machines now have this p180 protein.

if it takes 2 hours on ym celeron @ 1600, i am dreading to see the time per frame on my celeron @ 600. :eek:
 
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