[gmx-users] Potential Tables for user defined potentials

[Justin A. Lemkul]

Sikandar Mashayak wrote:
> Hi
> 
> I plan to do 'fluid in channel' simulations using GROMACS 4.0.7. For 
> that I need to use custom potential field parameters for fluid-fluid and 
> fluid-wall interactions.
> 
> So my question is that, how can I use potential table approach to 
> specify fluid-fluid and fluid-wall interactions seperately?
> 

Start with the manual, section 6.7.2, and see the table*.xvg in the /share/top 
subdirectory of your Gromacs installation for examples.

-Justin

> Thanks
> sikandar
> 

-- 
========================================

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

========================================