[gmx-users] gromos 45a3 ff
Ali Alizadeh
ali.alizadehmojarad at gmail.com
Tue Nov 6 19:21:08 CET 2012
Dear Justin
Thank you for your reply
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.
Yes, i studied and i understand,
So as you said, I do not need to change rcoulomb and rvdw, is it true?
--
Sincerely
Ali Alizadeh
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