Hi!
Can you help me?
Best regards,
Karolina Mitusińska
PhD student
czw., 8 lis 2018 o 13:29 Karolina Mitusińska (Markowska) <
markowska.kar.gmail.com> napisał(a):
> 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 Mon Nov 19 2018 - 00:00:02 PST
