Published June 2025 | Version v1
Dataset Open

DNA minicircle (339 base pairs) with 29 turns 30ns

  • 1. University of Sheffield

Description

DNA minicircle (339 base pairs) with 29 turns 30ns, 100mM CaCl2.

Trajectory originally donated to SlimMD

Files

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md5:88e76d982af2d27a0816b238169a7440
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Additional details

Domain Specific Metadata

 
Property Value
Software AMBER
Software Version 2016
Molecular Model atomistic
Simulation Method classical
Framestep 0.01 nanoseconds
Length 0.03 microseconds
Temperature 300 K
Box Type cubic
Trajectories Cartesian coordinates
Force Fields AMBER99 for DNA, parmBSC0, parmOL4, parmOL1 corrections for backbone dihedrals, TIP3P water.
Membrane No
Sequences TCTCTCTCTCTCTCTCACCACCGCGTACAAGAAAGTTTGTTCTTTCATTTCGCCATACAGCTGCCTCGCGCGTTTCGGTGATATCGGTGAAAACCCTTCCCGTTTCGCTCAAGTTAGTATAAAAAAGCTGAACGAGAAACGTAAAATGATATAAATATCAATATATTAAATTAGATTTTGCATAAAAAACAGACTACATAATACTGTAAAACACAACATATGCAGTCACTATGAATCAACTACTTAGATGGTATTAGTGACCTGTAACAGAGCTGAGGCATCTTTCTCAATGAAAGTGTCGGAACTCGGTACATAGGCTTCCGGCTGATAGTAGTCGTATACGACTACTATCAGCCGGAAGCCTATGTACCGAGTTCCGACACTTTCATTGAGAAAGATGCCTCAGCTCTGTTACAGGTCACTAATACCATCTAAGTAGTTGATTCATAGTGACTGCATATGTTGTGTTTTACAGTATTATGTAGTCTGTTTTTTATGCAAAATCTAATTTAATATATTGATATTTATATCATTTTACGTTTCTCGTTCAGCTTTTTTATACTAACTTGAGCGAAACGGGAAGGGTTTTCACCGATATCACCGAAACGCGCGAGGCAGCTGTATGGCGAAATGAAAGAACAAACTTTCTTGTACGCGGTGGTGAGAGAGAGAGAGAGA
Box Dimensions 544.3 x 312.4 x 238.7 Angstrom, alpha: 90.0, beta: 90.0, gamma: 90.0 degrees
Long Range Cutoff 100 Angstrom
Atom Count 21564