[gmx-users] meaning of the parameters in gbsa.itp

[Corina Mo]

Dear Gromacs users,

I am interested to do implicit solvent MD but I find that some atoms
(atomtype opls_961-965) in my system does not have parameters in the file
gbsa.itp.

Does anyone know the meaning of these columns in the file and the proper way
to derive these values?
; atype    sar    st    pi       gbr      hct

Thanks a lot.

Corina


-----
Thanks.

Corina 
--
View this message in context: http://gromacs.5086.x6.nabble.com/meaning-of-the-parameters-in-gbsa-itp-tp5011964.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.