[gmx-users] Read Coordinates
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jul 24 10:19:46 CEST 2002
On Tue, 23 Jul 2002, Nestor Sanchez Fornillo wrote:
>> BTW, d'u know how can I read the coordinates directly
>from fortran?
>> I mean, directly from the trr files
There is some code somewhere to read xtc directly from fortran. I think it
is in the gmxlib directory.
>
trr can be read by just calling the routines in gmxlib, i.e. linking with
-lgmxlib
You may have to write some C-wrapper
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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