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6 Jan 2021: 5.5-dev. Branched from trunk on the 25-Mar-10. New program: res2disp added. ... Kernel integrals constructed in CamCASP. New propagator module: Implements the ALDA(X) kernel in the manner described in Bukowski et al.

6 Jan 2021: New backup system. I want to buy a new backup server with about 6Tb of space, move the backups onto that, and make them user-accessible. ... New archive system. The other two old backup servers would immediately be free for reuse.

6 Jan 2021: to save the ligand you are editing as a new PDB using File>Save and changing the type to. ... R<CILE 385> Created a new atom named: O2 within residue:. R<CILE 385> Added missing heavy atom:.

6 Jan 2021: This information is used to set up UCS computer accounts in advance and is needed for any new member of staff.

6 Jan 2021: For the new topology file, the energy is invariant to permutation of the aforementioned atoms or groups :). ... How do I use it? /perm-prmtop.py name-of-topology-file name-of-new-topology-file. Where can I find it?

6 Jan 2021: General queueing problems. From CUC3. This page is for general queueing discussion. There are specific pages for discussing mek-quake and tardis. I have moved the paragraph from the page for me-quake as it is more appropriate here. --Catherine 09:55,

6 Jan 2021: perl -pi -e 's/old string/new string/' list_of_files. is equivalent to. for file in list_of_files; do sed -e 's/old string/new string/' $file > tmp mv

6 Jan 2021: Adding a model to GMIN. From CUC3. This is rough outline of the subrounties that need to be changed to add a new model to GMIN.

6 Jan 2021: 6. next step: creation new binary file points.ts; you will need new pathdata file:. ... Still it is worthy to check where in fact both endpoints are placed in new database.

6 Jan 2021: a symbolic link to the file's new location and leaving all other files untouched.

6 Jan 2021: Adding a model for PATHSAMPLE. From CUC3. Under Construction. This is rough outline of the subrounties that need to be changed to add a new model to GMIN. ... connectodata.f -- print out new output structures start.<n>, finish.<n>,. --mp466 00:24, 8 July

6 Jan 2021: I should find a concrete example that compares the old and new, but till I do that, here are some numbers for a calculation done on the new quad-core machine

6 Jan 2021: Eventually additions of new connections to the database will no longer reduce the rate constant.

6 Jan 2021: KNOPPIX_remastered | nice -5. /create_compressed_fs - 65536 > masterISO/KNOPPIX/KNOPPIX. Then boot up SuSE and copy the new compressed file over your old /KNOPPIX/KNOPPIX. ... Boot the knoppix system to test the new KNOPPIX file. Keep going round and

6 Jan 2021: 100% (3/3) done refs/remotes/origin/master: fast forward to branch 'master' of file:///Users/athom/tmp/git/tmp/Cambridge old.new: 880aefd.62b3628 Merge made by recursive.

6 Jan 2021: Running out of space on existing JBODs. Workstations tend to contain archives of old user accounts because new users need old users' data (or PI wants to hang onto it) but ... So we need a gigantic new JBOD to accomodate the growing data.

6 Jan 2021: This causes many "interesting" issues when I attempted to use the RESTART files for new calculations.

6 Jan 2021: I need a new version of the image without those SuSE libs to use on these machines. ... The auto-patching script doesn't do kernels on 10.2 so it will always need a computer officer's intervention to do a new kernel anyway.

6 Jan 2021: filestatus = character(3): OLD/old or NEW/new or OVR/ovr or ADD/add! NEW: This is a new file to be opened! ... NEW). In the latter case, any existing file by the same name is over-written!

6 Jan 2021: These variables will now be automatically set when you open a new shell, but for now, we need to load them manually. ... Whenever you introduce a new keyword or feature, it should be documented.