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polyether_blocks.ff
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polyether_blocks.ff
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[ citations ]
2016H66
polyply
[ moleculetype ]
PEO 3
[ atoms ]
1 CH3 1 PEO EC1 1 0.29 15.0350
2 OE 1 PEO O1 2 -0.58 15.9994
3 CH3 1 PEO EC2 3 0.29 15.0350
[ bonds ]
1 2 2 gb_18 {"comment":"CHn-OA,OE"}
3 2 2 gb_18 {"comment":"CHn-OA,OE"}
[ angles ]
3 2 1 2 ga_15 {"comment":"CHn-CHn-C,CHn,OA,OE,NR,NT,NL"}
; this residue is exclusively intended to be a side-chain
; substiuent to PMA or PMMA. It is identical in all other
; ways to PEO
[ moleculetype ]
mPEG 3
[ atoms ]
1 CH3 1 mPEG EC1 1 0.29 15.0350
2 OE 1 mPEG O1 2 -0.58 15.9994
3 CH3 1 mPEG EC2 3 0.29 15.0350
[ bonds ]
1 2 2 gb_18 {"comment":"CHn-OA,OE"}
3 2 2 gb_18 {"comment":"CHn-OA,OE"}
[ angles ]
3 2 1 2 ga_15 {"comment":"CHn-CHn-C,CHn,OA,OE,NR,NT,NL"}