[AMBER] Problem with obtaining iodine parameters via R.E.D. Server

From: Markowska <markowska.kar.gmail.com>
Date: Thu, 8 Nov 2018 13:29:21 +0100

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

ANGLE K(kcal.mol-1.rad-2) Theta0(deg) Source

So I cannot generate the coordinate file for my simulations.
Could someone help me?

Best regards,
Karolina MitusiƄska
PhD student
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Received on Thu Nov 08 2018 - 04:30:02 PST
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