Published August 7, 2023
| Version v1
Dataset
Open
Input files for the simulation of KcsA-LAB-TEA, when LAB-TEA is placed in the channel cavity with no K+-ion
Authors/Creators
- 1. National Institute of Technology Calicut
- 2. University of Calicut
Description
Input files for the simulation of KcsA-LAB-TEA, when LAB-TEA is placed in the channel cavity. The simulation is performed without K+-ion. 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*
5. Input files for the remaining different trajectories start with file name, lab-tea*
Files
Files
(6.9 MB)
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md5:8e3b1983001b3ace42cffb3eebd17aa5
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md5:367d68b453e166ea3d4b0587d8a7a745
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md5:6a27e87fb0e9283383a0616ddf2793a1
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md5:75d292e9a861483a08d7c469c3100b05
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6.9 MB | Download |
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:c141ec2c4a46596a0630d9468c22859c
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md5:db3a794bf0b4db2293d74f6247809288
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336 Bytes | Download |
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md5:367d68b453e166ea3d4b0587d8a7a745
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313 Bytes | Download |
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md5:00e5bc983f9fb7aec27f6676623a78ca
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314 Bytes | Download |
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md5:eb8c1c77477a574afbb66aac2294dd36
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312 Bytes | Download |
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md5:6a27e87fb0e9283383a0616ddf2793a1
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321 Bytes | Download |
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md5:22e365142e3aade19109cc3b759dcd75
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313 Bytes | Download |
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md5:8bd3c015fa51f127ab5165dd1e26e37f
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md5:fd4d0b68e0f36da62ad95aca77e2281d
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:ca5f9c59e2d6b24439149b09e589df41
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md5:67289f5c3f65d540d249c4474a7c7033
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md5:c141ec2c4a46596a0630d9468c22859c
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