Published August 7, 2023 | Version v1
Dataset Open

Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity.

  • 1. National Institute of Technology Calicut
  • 2. University of Calicut

Description

Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity. The inputs include,
1. Input files for minimization (*min.in)
2. Input files for heating (*h1.in, *h2.in, and *h3.in)
3. Input files for equilibration (*eq*.in) and production runs (*prd*.in)
4. Input files for the first trajectories start with file name, 1-lab-tea-k+*
5. Input files for the remaining different trajectories start with the file name, lab-tea-k+*

Files

Files (20.5 kB)

Name Size Download all
md5:58a8041e349375dd81307c45703305fd
314 Bytes Download
md5:367d68b453e166ea3d4b0587d8a7a745
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md5:eb8c1c77477a574afbb66aac2294dd36
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md5:22e365142e3aade19109cc3b759dcd75
322 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06f734c1fb9b705901b5b4159af4262e
327 Bytes Download
md5:06bb4a3c78476334bd7e87e20e6b093d
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md5:f27f0bdbaf24ad538c0fd3fd40747a0e
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md5:7fb0a12f0ea3671a644f2a4f614604df
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md5:91d9ee556fe06f49d7cb2624ae1d6bcf
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md5:b8bd19b4d78d974cb3209e194991b9c6
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md5:fcdbc79391b4e1901c5ad9b2fb29ec40
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md5:77f9267e30d5fd81c0f42bff62037aac
313 Bytes Download
md5:a0a674ab8b24a607ad56fce4eab806db
313 Bytes Download
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313 Bytes Download
md5:ee852fafe9ceb6aa201ef6787455ecbf
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md5:ba40793eb1cea787304cd2a5de030eef
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md5:478e221cd4f3c8ea145cb508e5db92d3
960 Bytes Download
md5:ba40793eb1cea787304cd2a5de030eef
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md5:242911378f38f36517a6cb823162d67f
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md5:ba40793eb1cea787304cd2a5de030eef
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