On Sat, Aug 28, 2010, Anselm Horn wrote:
>
> we have problems reading trajectories that were generated with sander
> from Amber8 using the binary format (IOUTFM=1).
The current netcdf (binary) trajectory format was not introduced until
Amber 9, so you will need to find out what format you actually have. From
the code, it looks to me like you may have to write your own conversion
routines (although others with long memories may want to chime in here).
See the corpac() routine in dynlib.f for info.
It is vaguely possible that you have a "binpos" file, so try that option
in ptraj. But I don't think that is all that likely.
....dac
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Received on Sat Aug 28 2010 - 07:00:03 PDT
