Re: [gmx-users] ForceField for Zn

[Harry Mark Greenblatt]

BS”D

We have successfully used ZAFF

Peters, M., et al., J. Chem. Theory Comput. 20120, 6, 2935-2947.

I have the input files from Martin Peters necessary to create additions for the 
Amber force fields in Gromacs.  Which configuration of Zn do you have?


Harry


On 24 Jul 2017, at 3:18 PM, Erik Marklund 
mailto:erik.markl...@kemi.uu.se>> wrote:

…here: https://kamerlinlab.com/

On 24 Jul 2017, at 14:14, Erik Marklund 
mailto:erik.markl...@kemi.uu.se>>
 wrote:

Hi,

Metal ions are tricky, and Zn is particularly beasty. Check out Kammerlin’s 
work in this area.

Kind regards,
Erik
__
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.markl...@kemi.uu.se

On 24 Jul 2017, at 13:24, Anjali Patel 
mailto:anjalipatel60...@gmail.com>>
 wrote:

Hello to all

In my pdb structure their are two ion of Zn; Can anyone suggest which
forcefield is appropriate for that.


With regards
Anjali Patel
Research Scholar
Department of Physics
The M S University of Baroda, Vadodara-390002
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Harry M. Greenblatt
Associate Staff Scientist
Dept of Structural Biology   
harry.greenbl...@weizmann.ac.il<../../owa/redir.aspx?C=QQgUExlE8Ueu2zs5OGxuL5gubHf97c8IyXxHOfOIqyzCgIQtXppXx1YBYaN5yrHbaDn2xAb8moU.&URL=mailto%3aharry.greenblatt%40weizmann.ac.il>
Weizmann Institute of SciencePhone:  972-8-934-6340
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Israel

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Re: [gmx-users] ForceField for Zn

[Erik Marklund]

…here: https://kamerlinlab.com/

On 24 Jul 2017, at 14:14, Erik Marklund 
mailto:erik.markl...@kemi.uu.se>> wrote:

Hi,

Metal ions are tricky, and Zn is particularly beasty. Check out Kammerlin’s 
work in this area.

Kind regards,
Erik
__
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.markl...@kemi.uu.se

On 24 Jul 2017, at 13:24, Anjali Patel 
mailto:anjalipatel60...@gmail.com>>
 wrote:

Hello to all

In my pdb structure their are two ion of Zn; Can anyone suggest which
forcefield is appropriate for that.


With regards
Anjali Patel
Research Scholar
Department of Physics
The M S University of Baroda, Vadodara-390002
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Re: [gmx-users] ForceField for Zn

[Erik Marklund]

Hi,

Metal ions are tricky, and Zn is particularly beasty. Check out Kammerlin’s 
work in this area.

Kind regards,
Erik
__
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.markl...@kemi.uu.se

On 24 Jul 2017, at 13:24, Anjali Patel 
mailto:anjalipatel60...@gmail.com>> wrote:

Hello to all

In my pdb structure their are two ion of Zn; Can anyone suggest which
forcefield is appropriate for that.


With regards
Anjali Patel
Research Scholar
Department of Physics
The M S University of Baroda, Vadodara-390002
--
Gromacs Users mailing list

* Please search the archive at 
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[gmx-users] ForceField for Zn

[Anjali Patel]

Hello to all

In my pdb structure their are two ion of Zn; Can anyone suggest which
forcefield is appropriate for that.


With regards
Anjali Patel
Research Scholar
Department of Physics
The M S University of Baroda, Vadodara-390002
-- 
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