[gmx-users] gromos 45a3 ff

Justin Lemkul jalemkul at vt.edu
Tue Nov 6 18:20:06 CET 2012

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?


> 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.




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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