> I have problem while I use ptraj to load the trajectory file
> hd5_wat.md.crd. The output is given below. It is supposed that the file
> is too large (about 2GB). I would like to know can I treat this file by
> ptraj. Or can I split it into several smaller files? Thanks.
If it is bigger than 2GB and you are on a Linux system, try recompiling
with:
-D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
If using amber8 or above, modify config.h to add this to CFLAGS and
LOADPTRAJ. If using a ptraj off the WWW, modify the Makefile. Otherwise
you will have to figure out how to enable large file support for your
particular compiler/OS. Generally, in my experience this has usually
worked for me (thanks to advice from John Mongan, computer wiz
extrodinaire).
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Received on Tue Apr 12 2005 - 03:53:00 PDT
