Date: Thu, 23 Apr 2020 23:55:47 +0530
I have attached all files and screenshots of error.
---------- Forwarded message ---------
From: Leena Aggarwal <leena.hrc.gmail.com>
Date: Thu, Apr 23, 2020, 18:54
Subject: Re: [AMBER] FATAL: allocation failure in ivector() error while
running 3D-RISM calculations
To: <david.case.rutgers.edu>, AMBER Mailing List <amber.ambermd.org>
I have attached all the files as well as screenshots of error.
On 4/23/20, David A Case <david.case.rutgers.edu> wrote:
> 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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- application/x-sh attachment: rism3d-script.sh
- application/octet-stream attachment: water-tleap.pdb
- application/octet-stream attachment: water.parm7
(image/png attachment: Screenshot_from_2020-04-23_18:48:45.png)
(image/png attachment: Screenshot_from_2020-04-23_18:48:51.png)
