On Thu, 2014-05-08 at 12:40 +0300, Kshatresh Dutta Dubey wrote:
> Dear Users,
>
> I am running QM/MM calculations using AMBER/Gaussian interface. However I
> am unable to define the memory for Gaussian run. I went through the manual
> but unfortunately I was unable to find the keyword to define the memory for
> QM run. I will appreciate if someone help me to define the memory in QM/MM
> or gau namelist.
It is the "mem" keyword, and it is a string. So it would be something
like this:
&gau
mem="2GB",
... other options
/
I will add this to the manual.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 08 2014 - 05:00:02 PDT
