Tutorial-l Mailing List

From: GUO HAO (Z070498_at_students.niu.edu)
Date: Mon Jan 29 2007 - 10:50:08 CST

Hi, everyone. I am a new user of NAMD. When I use NAMD to do a minimization on a small molecule, its potential energy becomes to 99999999.9999 kcal/mol and cannot be reduced. Could you tell what I should do to figure it out? Thanks for your patience! Any suggestions are appreciated!

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