> Em 10 de nov de 2016, à(s) 11:07, Ruth Helena Tichauer <rhtichau.laas.fr> escreveu:
>
> […]
> So if I understand it correctly, dispersion corrections are available for C, N, O, H, P, S only.
That is correct.
> So I was wondering if I’m missing something such that it is generating this error or if there is a way to generate such parameters for Mg ion that I could include in the dispersion file (as suggested in the following thread by Gustavo Seabra http://archive.ambermd.org/200905/0194.html).
Yes, in principle you could try generating those parameters yourself, then adding them in the file.
Best regards,
Gustavo.
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Received on Thu Nov 10 2016 - 10:00:02 PST
