On Mon, Aug 16, 2010, Jorgen Simonsen wrote:
>
> I am want to re-image my simulation but I get the segmentation fault from
> the simulation.
We need to know which version of ptraj you are using, and have access to a
(small) test case that illustrates the problem.
> or if the issue is my simulation data?
> My input file is
>
> trajin md_0_5.mdcrd
> trajout md_0_5_re_image.mdcrd
> center :1-1000
> image familiar
> go
>
> where the 1-1000 are protein atoms when I execute the script
You command is asking for centering on *residues* 1-1000, not atoms 1-1000.
Does it help if you fix this?
....dac
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Received on Mon Aug 16 2010 - 05:00:05 PDT
