[gmx-users] force field

[cuong nguyen]

Dear Justin,

with alcohols I can find their force field in AMBER or others. However, I
have just got a paper regarding CTAB (
http://pubs.acs.org/doi/abs/10.1021/la302998k). They use Gromos force
field. I am attempting to find the other better one.

Best regards,

Van
On 6 December 2012 09:35, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 12/5/12 8:29 PM, cuong nguyen wrote:
>
>> Thanks for your email Justin.
>>
>> I remember you answered an email that there is a PRODRG server working
>> with
>> higher version of Gromos87. Could you show me the link please?
>>
>>
> The server has changed and is now managed by a company.  I have not used
> it in months; perhaps the interface has changed.  One used to be able to
> select which force field to use.
>
>
>  Also could you please give me the advice about other force field for my
>> simulation? I am working with surfactants like alcohols, CTAB and triton
>> x45.
>>
>>
> What does a search of the literature tell you?  There are plenty of
> simulation papers regarding alcohols and surfactants.
>
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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