[gmx-users] Force field

[Ángel Piñeiro]

Dear Nihar,
if you contact me off the list I could send to you itp files for native
alpha, beta, and gamma cyclodextrins compatible with the gromos forcefield
(the ones we used in "jpcb (2007) 4383" and "jpcb (2007) 12625").
Unfortunately I do not have the thioflavin.

Regards,

Angel Piñeiro.


-----Mensaje original-----
De: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] En
nombre de Dr. Niharendu Choudhury
Enviado el: sábado, 15 de marzo de 2008 02:54 a.m.
Para: Discussion list for GROMACS users
Asunto: [gmx-users] Force field

Hi GROMACS users,
I would like to study cyclodextrin + Thioflavin T in water. Is there any
forcefiled parameters for these in any of the force-field supplied with 
GROMACS? 

It will be extremely beneficial if anybody can supply field compatible with 
GROMACS OR force-field parameters for CHARMM like potential functions.

Sincerely
Nihar

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 *                                                                       *
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