Skip to main content
zenodoopen

Dummy upload for arXiv:1506.09008 supplementary data

<p>###Preamble###</p> <p>This upload contains initialization files and data for simulations reported in:<br> https://arxiv.org/abs/1506.09008: Coarse-grained modelling of strong DNA bending II: Cyclization</p> <p>The initialization files allow a user to repeat the reported simulations using the oxDNA model. oxDNA is available for download from:<br> https://dna.physics.ox.ac.uk/index.php/Main_Page.&nbsp;<br> The use and meaning of the input and output files are documented extensively on this wiki.&nbsp;</p> <p>This is only a practice upload, and so only a small part of the total material is included.</p> <p>###Organisation###&nbsp;</p> <p>Simulations are organised by system type. Folder DXXCYY corresponds to simulation of a cyclization system with Nd = XX and Nbp=YY, with the meaning of these symbols given in the text referenced above. &quot;_seq&quot; indicates simulation of a specific sequence, as listed in Table S1 of the reference.</p> <p>For each system, a &quot;closed&quot; and an &quot;open&quot; folder are present. These correspond to the two windows of umbrella sampling that were performed separately.&nbsp;</p> <p>###Content###</p> <p>Within each folder are the necessary initialization files to run the simulations exactly as reported in the reference above, simply by calling oxDNA from within the folder, using &quot;inputVMMC&quot; as the input file.</p> <p>Also included are output files for a single realisation of the simulation.&nbsp;</p> <p>Note that the results in the reference above were all obtained from 5 independent replicas, using different initial conditions and different seeds. These can be (statistically) recreated simply by drawing random starting configurations from the single available traj_hist file. &nbsp;</p> <p><br> &nbsp;</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
8
Access
16
Reuse readiness
8
Engagement
0