Dear All,
in my topology file I have following lines:
[ defaults ]
; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ NN REPULSION (sigma/
r)^NN
1 1 no 1.0 1.0 100
[ atomtypes ]
;name mass charge ptype c6 c12
RD 0.5 0.0 A 0.0 0.0
VD 0.0 0.0 V 0.0 0.0
MD 0.0 0.0 V 0.0 1.0
my expectation was that this way atoms of type MD interact through a
potential
like (1/r)^100 but it seems that I keep having an interaction of type
(1/r)^12,
what is wrong with that?
thank your very much,
Cristiano
––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––
Cristiano De Michele, Ph.D.
Department of Physics Tel. : +390649913524
University of Rome "La Sapienza" Fax : +39064463158
Piazzale Aldo Moro, 2
I-00185 Roma - Italy
homepage: http://pacci.phys.uniroma1.it/
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