[gmx-users] Methanethiosulfonate - amberff

[dwunnick at uni-osnabrueck.de]

Hi all,

in the next time I plan to simulate a small RNA Aptamer with a
methanethiosulfonate spin label
[(1-oxy-2,2,5,5-tetramethylpyrrolinyl-3-metyl)-methanethiosulfonate]
attached to it. My question is, is there anybody who has already the
parameter/topology for this spin label for the amber99 ff in Gromcas?

Thanks a lot!

Dorith





-- 
Dorith Wunnicke

Universitaet Osnabrueck
Fachbereich Physik
Arbeitsgruppe Steinhoff
Barbarastr. 7
D-49069 Osnabrueck

Telefon (0541) 969 - 2506
Telefax (0541) 969 - 2656