InvincibleZZH
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InvincibleZZH
in my own research, trajctories are generated from gromacs, is it possible to combine allegro with gromacs?
wontfix
in your doc showing psi angle of protein backbone, https://userguide.mdanalysis.org/1.1.1/examples/analysis/structure/dihedrals.html you can see that in the picture psi consists of CAi Ci Ni+1 CAi+1 but it is supposed to be...
How can i input 2 chains into ESM3 to predict structure? I tried ":" in the sequence like esm2, but returned an error