Dear Gromacs users, I defined tree beads for aniline consists of SC4, SC4 and SNd as following:
[moleculetype] ; molname nrexcl DRG 1 [atoms] ; id type resnr residu atom cgnr charge 1 SNd 1 DRG NH2 1 0 2 SC4 1 DRG SI2 2 0 3 SC4 1 DRG SI3 3 0 [constraints] ; i j funct length 1 2 1 0.27 2 3 1 0.27 1 3 1 0.27 May I ask you to say me is it right? Best Regards Sara
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