June 2019 Group Labbook **************** 5/31/2019 ********* calendars and plans: Ran Zilong Deonte CIMM: poster printed ICME talk Albany: Capruso: SGCI: 6/5/2019 ******************* MISC: ARFs/registration/reimbursements ARF for RSU and ZLI are good thru June 30 will be extended thru summer and fall later in june zynthia/cimm is for Zilong brook/grad school is for Ran cimm-symp w/ rachel all done lbrn: alexis is checking HW: disk space and reorganization of stuff relocate CIMMhub is cimmhub being backed up? networking SW: Amber on DNA and on laptop notes from Deonte on linux config. cuda/opencl? integ w/ tmblab systems? root password? CIMM: meeting take home? Deonte: laptop config HD setup software config? nanocar: refs/reviews RSU: albany poster review 601 figures and outline any new calcs to do? ZLI: loop model w/ 1CPN magic snake HPtools... where can we find it Django; is there a "quick" tutorial/overview that does something ************************ Group meeting 6/19 *************** HW: RNA: /dev/sda1 74T 68T 6.1T 92% /mount not actively used: full trajectories and OLD home data are here. DNA: /dev/sda1 66T 21T 45T 32% /raid6 active/current home directory ibiomes all dewatered trajectories missing: dna:/raid6/projects/ trajectories and biologic sims pgpub and others from travers etc.. dna:/autoOLD/simulations/biologic which is rna:/mount ADE: /dev/md127 20T 16T 3.4T 83% /raid5 /scratch contains 2x 1uS 601 sims w/ water. the dewatered ones are in ibiomes and old backups SW: Amber18: installed on all + AmberTools19 ; installed on DNA must set environment variables deonte has it on the laptop. no he did not Web: fix HTTPS for DNA lets encryp zilong upldate DNA this morning see email on 6/19 to bishoplab on how to do this this should be made into a cron job it's already done on cimmhub... have to older version Science: ZLI:GDash RSU: 1CPN 601: still creating images have images for kinking analysis Deonte TcB: Funding: ********************** Group meeting 6/26 **************** Bishop is in full proposal mode SW: deonte is setup w/ Amber18/19 its done Also got apache, nanocar js stuff running but not sure if NAMD/VMD/Amber/SQM are running on his laptop also don't know about django and other stuff zilong please make sure he sees the django simple app from John Gentle ran please make sure VMD/namd/SQM really work for him. Let's encryp rally works and is CRONNed on DNA SCIENCE CALENDARS: RSU: ibiomes revision is not happening until after 601 ask for extension from JCIM until august 601 need finalize figures using hte kinking count analysis working on it/discussed and have ideas ZLI: 1CPN: looping w/ lammps and 1CPN /autotmb/home/tmbshare/Public/Projects/1cpn/example-restrain-zilong has a trajectory of uniform 30nm w/ two clustes 3nucs on each end being "fix drag" to a locaiton in space /autotmb/home/tmbshare/Public/Projects/1cpn/example-indent uses "fix indent" to try a smooth deformation focus on python modules for G-Dash see /autotmb/home/zli007/Public/gdashstructure.odp