Hi,
I can confirm that this bug exists. It has to do with the way the
'vector' command processes arguments. I will work on a bugfix, but in
the meantime try:
vector vector_1 :10-119.CA principal x out vector_1.dat
and see if that works.
-Dan
On Fri, May 27, 2011 at 3:28 PM, <moitrayee.mbu.iisc.ernet.in> wrote:
> Dear Amber Users,
>
> I am using the following script to obtain the principal vectors for an atom
> selection (one domain) of a protein.
>
> trajin /media/USB_flash/PPP/CRD/2xxx.28990_29000.crd
> trajin /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
>
> vector vector_1 :10-119.CA principal out vector_1.dat
> strip :WAT
>
> I get a segmentation fault as pasted below
>
> PTRAJ: trajin /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
> Checking coordinates: /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
> Rank: 0 Atoms: 118683 FrameSize: 2884022 TitleSize: 81 NumBox: 3 Seekable 1
>
> PTRAJ: vector vector_1 :10-119.CA principal out vector_1.dat
> Mask [:10-119.CA] represents 110 atoms
> Segmentation fault
>
>
> It would be of great help if you can please suggest me what has gone wrong.
>
> Thanks a lot.
>
> Sincere Regards,
> Moitrayee
>
>
>
>
>
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Received on Mon May 30 2011 - 07:30:03 PDT
