Re: [AMBER] problem with ptraj trajout in ambertools

From: <moitrayee.mbu.iisc.ernet.in>
Date: Mon, 11 Apr 2011 23:31:24 +0530 (IST)

> On Mon, Apr 11, 2011 at 10:03 AM, <moitrayee.mbu.iisc.ernet.in> wrote:
>
>> Dear Jason,

> Thus, the 10 frames you see are just from the last trajectory you read in. If
this is true (a ptraj expert would have to confirm), then the way to do what you
want to do is run it in 2 steps. First, combine all of the
trajectories/snapshots into a single trajectory, then in a separate step,
extract the PDBs.
>
I thinks this exactly what is happening here. So do you think I should make a
single netcdf file out of the trajectories and then run trajout.


Thanks a lot.

Moitrayee







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Received on Mon Apr 11 2011 - 11:30:03 PDT
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