From owner-chemistry@ccl.net Mon Feb 25 10:36:00 2019 From: "David A Case david.case . rutgers.edu" To: CCL Subject: CCL: Antechamber Error Message-Id: <-53631-190223145821-17903-OwiOExNb+nAwucAuye5EUw]|[server.ccl.net> X-Original-From: David A Case Content-Disposition: inline Content-Type: text/plain; charset=us-ascii; format=flowed Date: Sat, 23 Feb 2019 14:58:15 -0500 MIME-Version: 1.0 Sent to CCL by: David A Case [david.case(!)rutgers.edu] On Sat, Feb 23, 2019, Padmaja dadasaheb Wakchaure pdwakchaure25-*-gmail.com wrote: >I am trying to make topology file for MgF3- with antechamber Antechamber only works for organic molecules, and doesn't know how to deal with metal complexes. Can you say what version of AmberTools you are using? My hope was that current versions should exit with a good error message, rather than the very confusing message that you received. [Scott: do you have time to look into this? Is acdoctor perhaps missing a chance to help users out more?] ...thanks...dac