Add DMPC order parameters from JACS 1997 - #386
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| "M_G2C3_M, M_G2C3H1_M": [ | ||
| [-0.14, 0.02] | ||
| ], |
| DETAILS: | ||
| At the C2 position, the sn-1 chain has a single value (degenerate), while the sn-2 chain exhibits two distinct values due to motional | ||
| inequivalence (forking). The identification of which value belonged to the sn-1 chain was determined using Seelig, A. and | ||
| Seelig, J. (Biochemistry 1974, 13, 4839). The stereospecific assignment of the two sn-2 values to specific hydrogens was | ||
| estimated based on experimental values for POPC at 300K (DOI: 10.1039/c2cp42738a). |
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It's not allowed to write multistrings in YAML in that way. It should be
tag: |
string1
string2
or_tag: >
string1
string2| SOD: 0 | ||
| CLA: 0 | ||
| CAL: 0 | ||
| TOTAL_LIPID_CONCENTRATION: 50 |
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This value is wrong. This is an outdated tag that we need to get rid of. Unfortunately, we still need to fill it. It's not 50. It's 55.5/(water_per_lipid)
50 is probably a mass % that is a new tag which is described in the documentation. It is called differently.
| @@ -0,0 +1,23 @@ | |||
| DOI: 10.1021/ja962951b | |||
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This is an outdated tag. Please call it ARTICLE_DOI if its a paper or DATA_DOI if it's a dataset.
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Thanks for the contribution. I attached some comments to my review. |
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Thx @annasandtorv. I've added a couple of suggestions. You can read them and then go to "Files:" tab where you can apply them. After that -- LGTM. |
…E.yaml Co-authored-by: Alexey Nesterenko <comconadin@gmail.com>
…E.yaml Co-authored-by: Alexey Nesterenko <comconadin@gmail.com>
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@annasandtorv you should request review again when you are ready. Otherwise I don't get notification. Thanx for your efforts. I will approve and merge. |
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