From: Rawan Al Nsour (alnsourra_at_vcu.edu)
Date: Fri May 02 2014 - 09:57:57 CDT
Dear All,
I am working in teflon polymer long chain C200F402 . I derived the charges
I need to build a new residue for CF3 and F3 as agroup and CF2 anf F2 as a
group, my question is CF3 is connected to CF2 and the latter is connected
to rest of same CF2 in that long chain ending with CF3, is this residue
representing this long chain?
RESI AAA 0.00
Group
Atom C1 C3 -0.27 ! F11 F21
Atom F11 F3 0.09 ! \ |
Atom F12 F3 0.09 ! F12-C1-------C2--
Atom F13 F3 0.09 ! / |
Group F13 F22
Atom C2 C2 -0.18
Atom F21 F2 0.09
Atom F22 F2 0.09
Thanks,
Rawan
-- Rawan Al Nsour Ph.D. Candidate Department of Mechanical and Nuclear Engineering School of Engineering, Virginia Commonwealth University E-mail: alnsourra_at_vcu.edu 401 W. Main Street, Room E3216 P.O. Box 843015 Richmond, Virginia 23284-3015
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