[gmx-users] (no subject)

Olivia Waring owaring at princeton.edu
Wed Dec 28 17:05:00 CET 2011


Hello Gromacs users,

I'm using a Buckingham potential for the nonbonded interactions in my
system, so I have the following lines in my forcefield.itp file:

[ defaults ]
; nbfunc        comb-rule       gen-pairs       fudgeLJ         fudgeQQ
  2             1               no              1.0             1.0




-- 
Olivia Waring (王维娅)
Princeton University '12
AB Chemistry
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