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@davidlmobley davidlmobley released this 20 Jan 23:50
· 205 commits to master since this release
v1.1.1
f37e61c

This version:

  • adds host-guest input files
  • updates some figure captions
  • makes various edits recommended by Annual Reviews to that version of the paper (which is now separate from this one, but there is still some overlap) including some clarification of scope, more discussion of SAMPL and D3R, and more discussion of why lysozyme was chosen and what complexities there are in the system
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