(unknown charset) Re: [AMBER] bad atom type MN2+ ions in the binding free energy decomposition (Amber14)

From: (unknown charset) 袁浩亮 <0444909yuan.163.com>
Date: Wed, 21 Dec 2016 11:33:22 +0800 (CST)

Hi Elvis,
I've tried the solutions provided in the archives of Amber mailing list. But it doesn't work.
In Amber14, I have modified three positions in the mdread2.F90 file following the previous solution. I don't known if these modifications were correct.
After that, I have recompiled Amber. But the error message came immediately after I performed binding free energy decomposition, which frustrated me so much
Thank you very much.




Best regards,
HL Yuan
12/21/2016
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Received on Tue Dec 20 2016 - 20:00:03 PST
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