Dr. Fabian Grunewald

@pckroon is this still a thing?

we are also missing parsing for the cmap directive

@pckroon thanks for the comments! I don't understand your worry about the parser maintenance. This is a wrapper around pysmiles that lives in the polyply repro. So maintenance only goes...

retired in favor of cgsmiles

@csbrasnett I fixed the exclusions. For the structure coordinate generation works though? Can you make a example available to me.

@csbrasnett the peprint is already out. Are these parameters up to date? Can we merge and release it? Also can you add the citation to the preprint paper?

Dear @tylerjereddy, I apologize for the delayed answer, however, I was at a conference last week. In a nutshell, the parameters for branched Dextran that are in the input files...

Dear @WeixZeng, Let's say you have 100 residues each the syntax would be as follows: ``` polyply gen_seq -from_string A:100:1:PMA-1.0 B:100:1:PMMA-1.0 -seq A B -connect 0:1:99-0 -o PMMA_b_PMA.json -label 0:chiral:R-0.5,S-0.5...

Hi @WeixZeng, 1. There is no problem with the monomers; GROMOS is a united atom force-field where carbons with hydrogen (except aromatic ones) are represented by a single particle (e.g....

@WeixZeng ok! I'll organize the parameters