[gmx-users] Regarding conversion of C6/C12 parameters to sigma/epsilon

[naga raju]

Dear gmx users,
              I have one doubt regarding conversion of
C6/C12 parameters to sigma /epsilon. 
I added atomtypes, pairtypes and dihedraltypes from
lipid.itp to ffoplsaanb.itp---after changing C6/C12
paramters to sigma/epsilon as given in mailing list
(http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html
). 
 
My questions are
(1) Is it also required to do conversion of C6/C12
parameters of “nonbond_params“to sigma/epsilon and
adding these parameters from lipid.itp to
ffoplsaanb.itp.
 
(2) If it is not required to convert” nonbond_params”
parameters, is it required to call these parameters
without conversion.
 
               Any suggestion is appreciated, thank
you in advance.
                                                      
        
                               With best regards,
                                   Mulpuri.

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com