[AMBER] How to generate inputfile

From: 杨满意 <ymy0664.163.com>
Date: Wed, 15 Mar 2017 11:37:08 +0800 (CST)

Dears
    I have a question in how to generate input files (.prmtop and .inpcrd) for my QM/MM MD simulation with Amber16.
    the QM reagion: C6H5ISe (where I and Se have no force field parameters in GAFF)
     the MM reagion : C6H6


    Thanks very much!



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Received on Tue Mar 14 2017 - 21:00:02 PDT