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

[ashutosh srivastava]

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).

Ashutosh



On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul <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 | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Regards
Ashutosh Srivastava
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