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
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