[gmx-users] Sulfonate angles

[Lars Schaefer]

Hi Robert,
you might want to try out the PRODRG web server

http://davapc1.bioch.dundee.ac.uk/programs/*prodrg

Lars
*
Robert d'Rozario wrote:

>Hi I was wondering if someone could help me :)
>
>I have searched for the angles and the dihedral angles of a sulfonate
>group attached to a CH2-CH3 group.  My molecule looks like:
>
>
>     O
>     "
>(-)O-S-O-CH2-CH3
>     "
>     O
>
>I need to know the S-O-CH2 angle and alos the (-)O-S-O-CH2 dihedral
>angle.  Also if someone could adivise which gromacs code to use that
>would be more than helpfull.  I have looked through the 53A5/6 paper and
>have not found the answer in there so any repsonse would be great!
>
>Thanks
>
>Rob
>_______________________________________________
>gmx-users mailing list    gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>  
>