[gmx-users] Force field for ion-carbon interaction

[Alex]

Sorry to hear this. There is a good chance your reviewer is being an 
obtuse donkey. As a fellow modeler and also a referee, I'd be much more 
worried if someone _did not_ use a standard and well-tested description 
for ions.

Best of luck! :)

Alex


On 12/21/2016 11:40 PM, Maryam Kowsar wrote:
> Thank you Alex. Actually I used Amber since I havent found any better force
> fields for nonbonded interactions in my system. It worked fine, but that
> was questioned by a reviewer of my submitted paper, though I provided
> references.
>
> On Wednesday, December 21, 2016, Alex <nedomacho at gmail.com> wrote:
>
>> Hi Maryam,
>>
>> I am not really sure what "most proper" means when it comes to MD
>> simulations, but I think if we're talking about vdw/electrostatics, AMBER
>> and OPLS-AA are very close and have been used widely in the presence of
>> things like CNTs and graphene... If there's any particular effect you are
>> unable to reproduce with those ion descriptions, that is of course a
>> different problem.
>>
>> Hope this helps.
>>
>> Alex
>>
>> On Wed, Dec 21, 2016 at 12:10 PM, Maryam Kowsar <maryam.kowsar at gmail.com>
>> wrote:
>>
>>> Dear all
>>>
>>> What is the best and most proper force field for ions (like Na+ and Ca2+)
>>> and carbon structured systems interactions? I found a few papers which
>> used
>>> Amber force field. Has anyone worked with or seen any papers in this
>>> regard?
>>> Thanks.
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