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all atomic block copolymer building

Open WeixZeng opened this issue 5 months ago • 19 comments

Thank you for creating such a wonderful toolkit. Trying to build an all atomic block copolymer model for GROMACS. Thought it should be available with the '-connect' function with the gen_seq, but don't understand the syntax:

<seq_position_macro_A>,<seq_position_macro_B>-<connect_residueA>,<connect_residueB>

Would be great if you could provide some guildlines for this, one command line, let's say, for block copolymer version of PMMA and PMA like PMMA_b_PMA should be sufficient for my case.

WeixZeng avatar Jan 10 '24 01:01 WeixZeng