Published June 5, 2018
| Version v1
Dataset
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MacRog POPS simulations (versions 1 and 2) 298 K with corrected PO not OP tails
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Description
MacRog POPS simulations (298 K, starting structure from the CHARMM-GUI) performed with 1.0 nm cut-offs, PME and a dispersion correction. Two simulations were performed with differently assigned random starting velocities. Note that unlike the original MacRog simulations, these have the correct PO and not OP tails.
Files
Files
(456.4 MB)
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md5:ee710bb6bc2f91b15cc50f449eeddb45
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1.1 MB | Download |
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md5:1d4e013fa49d0cd597044db252ac52d4
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1.1 MB | Download |
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md5:6c83ed4f420dec541187f4caa8680bd0
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2.1 MB | Download |
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md5:b1cbebc9bbe879b3fa22cf5df91cae26
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222.0 MB | Download |
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md5:46cff4b31ef181883004de90a90c7bd5
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3.1 MB | Download |
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md5:44276f760a694caeac8925101d4d1cfc
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2.1 MB | Download |
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md5:3fa9c421ebaad5db447c60b003d88f3d
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221.9 MB | Download |
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md5:bebfde5bb1329acc07cadf99d29918ea
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3.1 MB | Download |