Hi everyone, I have a question regarding a forcefield build.
Is there a way to specify in the topology file how to bond two molecules
one to another?
So this thing, a halfaring + carboxyl on the left is one molecule and
similar
thing on the right is the other molecule. But I need to bond carbons a and
b
to get the full ring. Is this possible? Please don't ask me why I didn't
make the
whole thing one molecule (it is convinient for some other reason) I am using
my
own bonds angles and dihedrals, not "virtual sites" or any of that stuff.
Is that "+" and "-" stuff from rtp file going to work here? Thanks, Frankie
H H
O \____ _____/ O
\ /Ca Cb\ /
\ / \
/
C1-----------C2 ??? C2-----------C1
/ \ /
\
/ \Ca__ ___Cb/ \
O / \
O
H H
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