Dear ali,
the tutorial link you given used the G43a1 ,
The opls-AA and G43a1 paramete4r are different.
To choose the right parameter for system is a very important step in
simulation.
With best wishes and regards,
Rama david
On Sat, Nov 10, 2012 at 12:10 PM, Ali Alizadeh
On 11/10/12 7:09 AM, Ali Alizadeh wrote:
Dear Rama
Thank you for your reply dear Rama,
I'm really sorry,
My link was wrong,
This link is correct:
cinjweb.umdnj.edu/~kerrigje/pdf_files/fwspidr_tutor.pdf
Of course this tutorial do not use opls-aa but it says some of
parameters about opls
Hi justin,
If you dont mind please give the link for gromacs 4 paper , it will surely
help
me to decide ff and parameter...
Thank you in advance,
With best wishes and regards,
Rama david
On Sat, Nov 10, 2012 at 6:58 PM, Justin Lemkul jalem...@vt.edu wrote:
On 11/10/12 7:09 AM, Ali Alizadeh
On 11/10/12 8:47 AM, rama david wrote:
Hi justin,
If you dont mind please give the link for gromacs 4 paper , it will surely
help
me to decide ff and parameter...
http://www.gromacs.org/About_Gromacs/Citations
The Gromacs 4 paper is the one from 2008. I doubt it will help you make any
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