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@RashmiKumari RashmiKumari released this 19 Jul 10:17
· 11 commits to master since this release
  • Update for MM calculation. Now this calculation is very fast and does not require large memory.
  • New option -incl_14 is added for MM calculation. This option enable the exclusion of 1-2 and 1-3 bonded atom-pairs, and the scaling of 1-4 interactions.
  • Minor update and bug-fixes