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 <jalem...@vt.edu <mailto:jalem...@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

    ========================================
-- gmx-users mailing list gmx-users@gromacs.org
    <mailto:gmx-users@gromacs.org>
    http://lists.gromacs.org/mailman/listinfo/gmx-users
    Please search the archive at
    http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
    Please don't post (un)subscribe requests to the list. Use the www
    interface or send it to gmx-users-requ...@gromacs.org
    <mailto:gmx-users-requ...@gromacs.org>.
    Can't post? Read http://www.gromacs.org/Support/Mailing_Lists




--
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

========================================
--
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to