[gmx-users] Potential Tables for user defined potentials

[sulatha M. S]

Thanks Justin,

I have followed the How- tos/Polymers for creating rtp entries
for polyacrylates/acids and have been able to run MD simulations
successfully reproducing results from prior literature.
Tabulated potentials section is also sure to help gmx-users. Thanks!


Dr. M.S Sulatha
IIT-Madras,
India


On 4/8/10, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
>
> Justin A. Lemkul wrote:
>
>>
>>
>> Gareth Tribello wrote:
>>
>>> Hello again
>>>
>>> OK I have posted my notes on user defined potnetials here.  I think there
>>> pretty exaustive (well they have everything I know about this in) and could
>>> be used as a how to in this form.  However, I can't work out how to post
>>> them on the webiste as a how to page.
>>>
>>>
>> Great, I'll try to find some time to get a How-To together and post this
>> file as an attachment.  I'll report back when that's done so others can add
>> to it.
>>
>
> OK, I've got this all wikified now, complete with fancy equations :)
>
> http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials
>
> Hopefully this information will help de-complicate the issue of tabulated
> potentials, and now that the page is set up, everyone can feel free to add
> and modify to their hearts' content.
>
> -Justin
>
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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