Selecting search parameters for GMIN: Revision history

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10 May 2019

  • curprev 17:0617:06, 10 May 2019Adk44 talk contribs 1,219 bytes +1,219 Created page with "There are a few general tips for selecting parameters for geometry optimisation. 1. The number of '''STEPS''' should be long enough to at least see one conformational change..."