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  2. New mek-quake - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/New_mek-quake
    New mek-quake. From Docswiki. This is a large cluster system to be used by the Wales and Vendruscolo groups.
  3. Migrating to the new SVN server - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Migrating_to_the_new_SVN_server
    As this is a new server, you will need to login once from each machine you use. ... log into the new repository to make sure it's working. svn ls $SVN/trunk.
  4. PATHSAMPLE - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/PATHSAMPLE
    PATHSAMPLE. From Docswiki. A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is documented here. Tutorials. These tutorials are under development. Please correct any
  5. Relaxing existing minima with new potential and creating new database …

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Relaxing_existing_minima_with_new_potential_and_creating_new_database
    6. next step: creation new binary file points.min; you will need new pathdata file:. ... Still it is worthy to check where in fact both endpoints are placed in new database.
  6. Xmgrace - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Xmgrace
    A post script file with be saved as well as a new session file.
  7. Aux2bib - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Aux2bib
    aux file from a latex compilation and creates a new bib file called references.bib which contains only the entries required by the corresponding.
  8. Makerestart - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Makerestart
    up restart run in the current directory' echo 'Number of steps completed='$oldsteps echo 'Number of additional steps requested='$1 echo 'Total number of steps after restart='$steps # CREATING THE NEW ... Prints the top of the data file up to (but not
  9. Relaxing existing transition states with new potential and creating…

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Relaxing_existing_transition_states_with_new_potential_and_creating_new_database
    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.
  10. LDAP plans - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/LDAP_plans
    Where to put them. One can go on the new backup server but the primary ought to be close to the workstations.
  11. Mercurial - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Mercurial
    In that sense, mercurial is very similar to the other new generation version management systems as git or bazaar. ... Also good. Since all new code that you write has bugs, you have a choice.

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