Manganese force field

From: Taejin Kim (nanobiotechtjkim_at_gmail.com)
Date: Fri Mar 18 2016 - 14:07:35 CDT

• Next message: faride badalkhani: "CGENFF validation"
• Previous message: faride badalkhani: "Re: charge group"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear All

I am trying to run MD simulations of protein/DNA complexes which have
several manganese ions.
However, it looks like there is no manganese ion force filed for charmm.
If someone knows proper charmm force field for manganese, could I get some
help?

In addition, is there any major difference between magnesium and manganese
coordination?

Thank you.

TJ.

• Next message: faride badalkhani: "CGENFF validation"
• Previous message: faride badalkhani: "Re: charge group"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:14 CST