On Thu, Apr 23, 2020, Leena Aggarwal wrote:
>
>I am trying to run the 3D-RISM calculations using rism3d.snglpnt for a
>single water molecule using Amber 18 in my laptop. It is giving the
>error:
>
>FATAL: allocation failure in ivector()
Can you post the exact way you invoked rism3d.snglpnt (i.e give us all
the flags you used? Probably posting the prmtop and inpcrd files as
well (they should be very small) would help, along with information
about which version of AmberTools you are using.
....dac
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Received on Thu Apr 23 2020 - 06:00:02 PDT
