[gmx-users] ff parameters

Ali Alizadeh ali.alizadehmojarad at gmail.com
Sat Nov 10 07:40:15 CET 2012


Dear Justin

I confused, in your tutorial, parameters of ff for example:  OPLS-AA

rlist=rvdw=rcoulomb=1

but in another tutorial i saw :

rlist=rcoulomb=0.9

rvdw= 1.4 or .8

www-personal.umich.edu/~amadi/fwspidr_tutor.pdf


-- 
Sincerely

Ali Alizadeh



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