[AMBER] simulate free metal ion, which is not included in $AMBERHOME/dat/leap/lib/atomic_ions.lib

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From: MinYuan <minyuan.mail.ustc.edu.cn>
Date: Wed, 13 Dec 2017 11:11:20 +0800 (GMT+08:00)

Hi,

I want to simulate free metal ion, which is not included in $AMBERHOME/dat/leap/lib/atomic_ions.lib.
Is there any way to deal with it?
The tutorial here doesn't work. http://ambermd.org/tutorials/advanced/tutorial20/nonbonded_model.html

Looking forward to hear your help.

Best wishes
Yuan Min
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Received on Tue Dec 12 2017 - 19:30:02 PST