[gmx-users] gromos 45a3 ff

[Justin Lemkul]

On 11/6/12 12:12 PM, Ali Alizadeh wrote:
> Dear All users
>
> 1- Do these parameters strongly impact on my final results?
>
> rlist
> rcoulomb
> rvdw
>

Yes, potentially very strongly.

> 2- Are these parameters independent from type of system and only
> dependent to type of the force fields?
>

Yes.

> 3- I want to use gromos 45a3 ff but i do not know these parameters,
>

Have you read the article in which 45A3 was derived?  It spells out precisely 
what you need to do.

http://onlinelibrary.wiley.com/doi/10.1002/jcc.1078/abstract

-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

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