[gmx-users] reagrding huggins meyer potential

[Justin A. Lemkul]

sreelakshmi ramesh wrote:
> Dear all,
>              I wanted to simulate Nacl in water using huggins meyer 
> potential as vdw type.since gromacs has just LJ OR BJ potential i wanted 
> to know if somebody had done it with huggins meyer potential.I read the 
> manual and since i am not good in c or fortran i dono how to create  a 
> user defined potential as well.can anybody help me out with this issue.

To define a tabulated potential, first consult the manual, section 6.7, then try 
out the how-to guide on the wiki:

http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials

Then, if you're still having trouble, please post a specific question.  Saying 
you don't know how to do something does not typically inspire anyone to teach 
you, especially when there are ample resources available.

-Justin

> thanks in advance.
> sree.
> 

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

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

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