Hello Amber Users,
is there someone on the list from the R.E.D Server and could help?
I would like to get charges for a compound with iodine via R.E.D. Server.
I've did some trial, but the force mode I've got is incomplete, because
apparently the charges for iodine are unknown.
I've checked my results and inside the frcmod.unknown file I can see this
line:
ANGLE K(kcal.mol-1.rad-2) Theta0(deg) Source
H1-CT-I
So I cannot generate the coordinate file for my simulations.
Could someone help me?
Best regards,
Karolina Mitusińska
PhD student
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Received on Thu Nov 08 2018 - 04:30:02 PST
