On Fri, May 13, 2016, Morteza Chehel Amirani wrote:
>
> Just wondering where the old HEM parametrization files are located? It
> seems they are removed from the current version i.e., 16.
They are at the contributed parameters database:
http://sites.pharmacy.manchester.ac.uk/bryce/amber
Unfortunately, frcmod.hemall file is missing two lines at the end, and I
haven't got the update posted yet. The frcmod.hemall file should end like
this:
NONBON
FE 1.20000 0.05000 0.00000
LO 1.60000 0.20000 0.00000
LC 1.85 0.12 0.0
NP 1.8240 0.1700 OPLS
NO 1.8240 0.1700 OPLS
...good luck....dac
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Received on Sat May 14 2016 - 06:30:04 PDT
