[gmx-users] Potential Tables for user defined potentials
sulatha M. S
mssulatha at gmail.com
Thu Apr 8 12:08:21 CEST 2010
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
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 :)
> 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 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
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