Hi Ning:
In preparing your force field file with leap, the default Mg2+ ion parameter set points to the "normal usage set" by Li, Merz, et al for the current AMBER version,
if you do not explicitly specify. You may refer to Table 1 in our recent paper for a summary of commonly used Mg2+ models.
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00627
All the best,
Zhicheng
________________________________
From: ? ? <knsherry.hotmail.com>
Sent: Thursday, January 3, 2019 10:01:15 AM
To: amber.ambermd.org
Subject: [AMBER] Literature about magnesium ion parameters in tutorial A8
Dear all,
I used the magnesium ion parameter in Amber tutorial A8 (
https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fambermd.org%2Ftutorials%2Fadvanced%2Ftutorial8%2Fdownload.htm&data=02%7C01%7CZhicheng.Zuo%40unthsc.edu%7C8aac581ed0ef4fe5a26f08d671a58cae%7C70de199207c6480fa318a1afcba03983%7C0%7C1%7C636821353175970108&sdata=6iQoKM%2Bsy%2FJG9l%2FB%2BgHkeZoz3FZ0Nbt1Fd%2BUhrDubOc%3D&reserved=0) in my work. And I want to cite the source of this parameter or any literatures used this parameter as reference.
After searching, I did not find appropriate literature (some used other magnesium parameters, the others did not introduce clearly). Could anyone tell me any literatures used this parameter?
Thanks a lot!
Best wishes,
Ning
Shanghai jiaotong University
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Received on Thu Jan 03 2019 - 12:30:02 PST
