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New ProtoMol Project 10005

Tobit

[H]ard|DCer of the Month - March 2010/May 2011
Joined
Dec 12, 2005
Messages
5,145
Project 10005 using the new ProtoMol core has just entered advanced methods.

ProtoMol uses methods for accelerated long-time dynamics of proteins, called Normal Mode Langevin (NML). Using NML allows for speedups of hundreds over plain molecular dynamics. The method repeatedly finds the low frequency directions using normal mode analysis, and projects the motion of the molecule along them while resolving the nearly instantaneous motion (see Sweet et. al., J. Chem. Phys., 2008, Vol 128, pp. 145101 and preprint at http://www.nd.edu/~izaguirr/papers/izaguirre-r1.pdf for more details). The goals of this project are threefold: to validate NML by simulating the folding and dynamics of the Fip35 WW domain, to understand the role of mutations on folding, and to understand the activation of src Kinase, an enzyme that is involved in the onset of some kinds of cancer.

This is a uniprocessor project and sent to those clients who have enabled the -advmethods flag (public beta).
 
Thanks again for keeping us up to date with teh latest info, Tobit.

Not to get OT or anything, but you know, I have a uniprocessor client at work that I borged a long time ago, and it's been trying for a week and a half to get a new work unit. I guess the 8080 server has been screwing the pooch or something, because it can't seem to get anything new to crunch. I'd love to crunch this pacaket if I could just *get* something...:rolleyes:
 
I have a uniprocessor client at work that I borged a long time ago, and it's been trying for a week and a half to get a new work unit.
I suspect you might still be running a v5 client on this box? Might be time to do refresh the client. If you are running a v6 client, dump the config and data directory and reconfig using a different machine ID number.
 
I checked this morning as soon as I got in to work - the client on that box is 6.23, so that can't be the issue. It sit's behind a firewall, so maybe Stanford's port 80 server that distributes uniproc work has been down or something.
 
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