[AMBER] Extending constant pH to additional titratable groups

From: 王金玉 <202021150080.mail.bnu.edu.cn>
Date: Sun, 26 Dec 2021 22:44:58 +0800 (GMT+08:00)

Dear Amber Community,

I want to parametrize a non-standard residue as titratable ones in Amber16, so I need to add the definition of FMN in titratable_residues.py, however, I have initially added the definition and recompiled amber, why does the cpin file generated with cpinutil.py have no information about FMN? The cpin file and some information of definition has been uploaded to the attachment. Could you please help me point out the problem?


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Received on Sun Dec 26 2021 - 07:00:02 PST
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