Re: [AMBER] PBSA error

From: David A Case <>
Date: Thu, 20 Nov 2014 15:32:45 -0500

On Thu, Nov 20, 2014, Kshatresh Dutta Dubey wrote:
> I am using amber 14 for pbsa program. When I am trying to run the pbsa with
> :
> pbsa -O -i -o pbsa.out -p ../dimer-sb-wat.prmtop -c
> dimer-SB-run1.rst &
> It is showing error:
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.

> segmentation fault. I am using netcdf format of rst file...

Try converting the rst file to the older (formatted) format: in cpptraj

trajin dimer-SB-run1.rst
trajin dimer-SB-run1.rst7 restart

I'm guessing that pbsa doesn't know how to read the netcdf restart format.

Let us know if that doesn't work....good luck....dac

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Received on Thu Nov 20 2014 - 13:00:02 PST
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