April 2015 ************* Anthony: setup ssh keys for self and use to monitor disk iperf uptimes put these in /home/tmbshare/admin/hw-status/ start to manage /home/tmbshare/public_html 00contact needs updating and other files needs students moved around add anik, ran and sandeep update tmblab calendar w/ your info contact James aboua april 15 High School demo (jli01???@latech.edu) Anik/Ran: must put times in tmblab calendar update ~tmbshare/public_html data in contacts and your personal web pageetc.. will not attend lasigma technical april 20 review 1kx5/2cv5 molecs: what's wrong w/ 1kx5/frog... any other problems Sandeep safty training group getting started manual set up svn (see me or rtfm) /home/tmbshare/svn fill in tmblab calendar Bishop: DONE set "lab" link for dna.engr.latech in ~wwwrun/htdocs/index.html to point to tmbshare not bishop check eclipse check svn for ICM++ April 14 *********** EandS day april 15 see /autotmb/home/bishop/public_html/LASIGMA2015/EandS-at-Tech CTH rm 156 (basement south side) 9-12 April 21-29 *************** 50ns completed for 1kx5/2cv5 (hu,mo,fr) on loni and transferred to RNA: /simulations/mononucs/[1kx5,2cv5] TODO: a) strip water (not ions) : see ~bishop/bin/stripwat.vmd or nowat.vmd b) rms analysis of histones and DNA in each dcd2rmsd.vmd should do this but what to fit is question SHOULD IDENTIFY HISTONE CORE SEQUENCE AND USE THIS c) calc DNA helical params dcd2par.vmd or dcd2pardat.dcd should extract 50,000 helix parm values from the trajectory d) hbonding for the amino acids that distinguish frog,mouse,human e) radial distributions for Cl-Cl, K-K, Cl-K as well as Cl-DNA and K-DNA and Cl-protein K-protein TODO: start multiple replica runs of 1kx5/2cv5 but which system? see email on this TODO: anik and ran got accepted for blue waters internship progam NEED to have them put together proposal for bluewaters time based on bishop'/s LONI propposal figures needed: 1) rscb "map" of histones for 1kx5,2cv5 (ran is doing this) 2) above will also include diff btwn frog,mouse, human 3) Graphic showing how generated FR,MO, HUM from 1kx5,2cv5 OTHER: PLAN for the BWIP proposal: threading 12A12 (subset of 54A54) onto HUMAN (1kx5) ... anik 21runs of 100=500ns = 2100-10500ns MOUSE (1kx5) ... ran 21 runs of 100-500ns =2100-10500ns expect each run to be ~200CORE can bundle 21*200 = 4200 core /run and expect 2-3hrs run/ns -> means 500ns will take > 200hrs or about 10 days of 4200core runnign 24*7 cost 100ns *21runs * 200core * 3 hrs = 1,260,000SU times 2x = 2,500,000 SU for both of these studies assuming 100ns is enough for each system