See, e.g., Gas or Vacuum phase - #2 by jalemkul for information about simulations in vacuum.
I’m not sure how running EM in vacuum would prevent the crystal water molecules from leaving their binding sites, though.
See, e.g., Gas or Vacuum phase - #2 by jalemkul for information about simulations in vacuum.
I’m not sure how running EM in vacuum would prevent the crystal water molecules from leaving their binding sites, though.