[gmx-users] Re: fudgeQQ (again ...)
qiaobf at gmail.com
Thu Dec 7 21:31:01 CET 2006
2006/12/7, chris.neale at utoronto.ca <chris.neale at utoronto.ca>:
> By the way, why are you using the combination of genpairs=yes
> fudgeLJ=0.5 and fudgeQQ=0.8333 ? This is not a valid combination for
> any force field that comes in the standard gromacs distribution.
I am puzzled about this. In your opinion, when I use genpairs=no, fudgeLJ=
0.5 and fudgeQQ=0.8333, are these scaling factors, 0.5 and 0.8333, useful?
On the other hand, when using genpairs=yes, how to set the scaling factor of
fudgeLJ and fudgeQQ?$
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