[AMBER] a bug in leaprc.gaff2 file

From: Ye Mei <ymei.itcs.ecnu.edu.cn>
Date: Thu, 18 Aug 2016 17:21:16 +0800

two extra lines are needed in the "addAtomTypes" section in leaprc.gaff2

         { "n8" "N" "sp3" }
         { "nv" "N" "sp2" }

Ye


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Received on Thu Aug 18 2016 - 02:30:05 PDT