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@pm-blanco Based on my little experience working with PAMAM denrimer, I think this sounds like a great idea! In the homogenous case, you have labeled the the nodes N0 and N1, but based on the way you are planning to set up the function, these are really the same chemical identity if I understand correctly? And if one would like to distinguish between different chemical identites one would have to use option 2?
Offline discussion with @mariusaarsten, we should also support a different particle type for the ending particles in case 1) because this is a fairly common case for dendrimers.
Notes from an online discussion with @pinedaps, ideas for adding a new feature to build dendrimers in pyMBE:
@mariusaarsten and @kosovan, we would appreciate your opinion on these ideas since you both have experience in building dendrimers! 😄
Parameters of the dendrimer
Structure of the dendrimer
Ideas
Case 1) have pre-defined models to set up symmetric dendrimers (like the one above)
central_chain
, then the dendrimer would start from a central node.Case 2) Have a general framework to generate heterogenous dendrimer
Then, one would load the topology file directly.
and latter one would create it into espresso using pyMBE (with either case)
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