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Get rid of the --Natoms flag #12

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Lp0lp opened this issue Sep 14, 2023 · 1 comment
Open

Get rid of the --Natoms flag #12

Lp0lp opened this issue Sep 14, 2023 · 1 comment

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@Lp0lp
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Lp0lp commented Sep 14, 2023

Seems a bit meh that you have to input the number of CG beads when you call the script. Can't we simply get it from the cg.pdb directly? Look into this.
@sebtha
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sebtha commented Sep 20, 2023

Sure, this is possible:

  1. count the number of CG beads
  2. subtract the number of CG beads with CA atom type

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@Lp0lp @sebtha