Hi,
Which version of cpptraj are you using? Also, if possible could you
provide your entire cpptraj input and output? Thanks.
-Dan
On Mon, Dec 11, 2017 at 10:12 AM, Andreas Tosstorff
<andreas.tosstorff.cup.uni-muenchen.de> wrote:
> Hi all,
>
> I am trying to analyze an REMD run with cpptraj using the ensemble
> command. My input looks like this:
>
> > parm ../HYN.parm7
> Reading '../HYN.parm7' as Amber Topology
> > ensemble remd01.mdcrd.01 trajnames
> ../02/remd01.mdcrd.02,../03/remd01.mdcrd.03,../04/remd01.mdcrd.04,...,../64/remd01.mdcrd.64
>
> And the output like this:
>
> Reading 'remd01.mdcrd.01' as Amber NetCDF
> Segmentation fault
>
> After that, cpptraj just closes.
>
> I am not too familiar with cpptraj and how to troubleshoot, so I'd
> really appreciate your advice! PLease let me know if you need any
> additional info.
>
> Kind regards,
> Andreas
>
>
> --
> M.Sc. Andreas Tosstorff
> Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
> Department Pharmazie
> LMU München
> Butenandtstr. 5-13 ( Haus B)
> 81377 München
> Germany
> Tel.: +49 89 2180 77059
>
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Dec 11 2017 - 08:00:02 PST
