[gmx-users] charges in polymer
dmitriy.golubovsky at gmail.com
Mon Nov 27 11:39:13 CET 2006
i need an advice.
i create 3 resudues for my polymer. ( begin-monomer, middle-monomer,
optimize geometry and charges in gaussin 6-31G.
formalize topology for OPLS force-field.
but, i've got a question
have i to do RESP of the charges of my monomers according to ff or not?
if yes, what have i to use for it.
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