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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