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Model version numbering + removal of versioning for collections #18

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ricalessandri opened this issue Nov 11, 2022 · 1 comment
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documentation Improvements or additions to documentation

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@ricalessandri
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ricalessandri commented Nov 11, 2022

As agreed on the Martini dev meeting, collection numbering should be removed. Collection files (which can be useful in certain cases) can be kept with _vYYYYMMDD.itp (but probably all the headers of the models contained in the collection should contain the version number).

Only version numbering for the single models should be added, and they should look like the following:

;;;;;; Martini 3 small molecule topology for benzene (BENZ)
;
; Description:
;   Topology with optimized bond lengths.
;
; Reference(s):
;   R Alessandri, et al., Adv. Theory Simul., 2022, DOI: https://doi.org/10.1002/adts.202100391
;   PCT Souza, et al. Nat. Methods, 2021, DOI: https://doi.org/10.1038/s41592-021-01098-3
;
; Category
;       small molecule
;
; Name
;       Benzene
;
; Alias
;       BENZ
;
; Force field
;       martini3001
;
; Version
;       1.0
;
@ricalessandri ricalessandri added the documentation Improvements or additions to documentation label Dec 28, 2022
@ricalessandri ricalessandri changed the title Model version numbering / removal of versioning for collections Model version numbering + removal of versioning for collections Jan 25, 2023
@ricalessandri
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Maybe then I can keep some collections and name them as follows, e.g.:

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