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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
;
The text was updated successfully, but these errors were encountered:
ricalessandri
changed the title
Model version numbering / removal of versioning for collections
Model version numbering + removal of versioning for collections
Jan 25, 2023
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:
The text was updated successfully, but these errors were encountered: