Hi,
Have you tried reading the PDB file with cpptraj?
-Dan
On Thu, Feb 2, 2012 at 11:12 PM, Cihan Aydin <cihan.aydin.umassmed.edu> wrote:
> Hi all,
>
> I am trying to load a multimodel PDB (8400 frames - I have my reasons)
> into ptraj for some analyses but each time I try (and with 16G memory)
> it segfaults (without any descriptive error), fails and coredumps. Is it
> too much for ptraj to handle? Do I have a way to convert this PDB into a
> trajectory file using a frame of the pdb as the prmtop?
>
> Thanks,
>
> Cihan
>
> --
> Cihan Aydin
>
> University of Massachusetts Medical School
> Department of Biochemistry and Molecular Pharmacology
> PhD Candidate, Schiffer Lab
>
> 364 Plantation St LRB 970M
> Worcester, MA 01605
>
> cihan.aydin.umassmed.edu
>
>
>
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--
-------------------------
Daniel R. Roe, PhD
Postdoctoral Associate
BioMaPS Institute, Rutgers University
610 Taylor Road
Piscataway, NJ 08854
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Received on Fri Feb 03 2012 - 05:30:03 PST
