[gmx-users] including non standard amino acid CSD in topology file

[Justin A. Lemkul]

ashutosh srivastava wrote:
> Thank You
> However what i wanted to ask was about the parameters to be used. So it  
> would be helpful if someone could guide as to how can i get the 
> parameters that should be used for 3-sulfinoalanine (CSD).

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

-Justin

> 
> Ashutosh
> 
> 
> 
> On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     ashutosh srivastava wrote:
> 
>         hello
> 
>         I am using OPLS AA FF and my  protein contains a non standard
>         amino acid CSD for which the topology parameters are not present
>          . Can someone tell how to include CSD into topology file?
> 
> 
>     http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
> 
>     -Justin
> 
> 
>         ashu
> 
> 
>     -- 
>     ========================================
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
>     ========================================
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> 
> 
> -- 
> Regards
> Ashutosh Srivastava

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

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

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