>
>> 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).
I'm using the amber8. I'm wondering how to modify the config.h. The original file is
as below:
CFLAGS=-02 $(AMBERBUILDFLAGS)
....
LOADPTRAJ= ifc -Vaxlib -nofor_main $(LOCALFLAGS) $(AMBERBUILDFLAGS)
....
And do you mean that I just compile and use ptraj as usual after I modify the config.h?
JZ.
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Received on Tue Apr 12 2005 - 22:53:00 PDT
