Hi for all ...
Can somebody help me,?

for make a bonded interaction between
HIS an Zinc atom (in protein with HIS redisidues make bond with a Zn atom by its NE2 atoms)

I need edit some files ../top
first I need modify ffgmxbon.itp


The references about FE NR5 is only example ...

I really need put the valeus for ZN NR5 interaction (???)

ffgmxbon.itp,

[ bondtypes ]

; i j func b0 kb

FE NR5 1 0.19800 418400.

ZN NR5 ????????????????????????

[ angletypes ]

; i j k func th0 cth

FE NR5 CR51 1 125.000 251.040

NP FE NR5 1 115.000 41.840

ZN NR5 ???????????????????????????????

?? ZN NR5 ?????????????????????????

[ dihedraltypes ]

; j k func phi0 cp mult

FE NR5 1 0.000 0.000 4


ZN NR5 1?????????????????????????????


thanks !

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