Dear Morteza,
Also, you can use the external program PUPIL, which is a tight interface
between Amber and many others external QM programs, among them deMon2k
is currently supported, that would allow you to carry out QM/MM MD
simulations using Amber as molecular dynamics engine.
http://pupil.sourceforge.net/
Regards,
Joan
El 07/07/16 a les 23:19, Morteza Chehel Amirani ha escrit:
> Hello
>
> I'm wondering if deMon2k could be added to list of external packages for
> QM/MM simulations in Amber? or there is any instructions to use a new
> external package which is not currently supported to do QM/MM simulations.
> Thanks.
>
> Sincerely,
> Morteza
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Received on Thu Jul 07 2016 - 23:30:02 PDT
