[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate

[K.A. Feenstra]

Marc Baaden wrote:
> Hi,
> 
> nelilma at far.fiocruz.br said:
> 
>>>Dear all,
>>>       Does anyone have any idea where I can get force field
>>>parameters for  Mn2+ ions coordinated to carboxylate-type oxygens??? I
>>>will be very grateful  if anyone can help... . 
>>
> 
> there are some Mn2+ parameters at http://pharmacy.man.ac.uk/amber/
> but you'd have to check the corresponding paper whether they are
> suitable for coordination of carboxylate groups.

Also, judging from the URL, these would probably be Amber parameters
which may or may not mix well with Gromacs/Gromos...


-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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