[gmx-users] A question regarding the xdr lib

LuLanyuan lulanyuan at msn.com
Tue Apr 7 01:14:07 CEST 2009


Thanks very much, David.
Lanyuan

> Date: Mon, 6 Apr 2009 22:56:43 +0200
> From: spoel at xray.bmc.uu.se
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] A question regarding the xdr lib
> 
> LuLanyuan wrote:
> > Hello,
> > I just compiled the xdr file lib that was recently released on the 
> > Gromacs website.
> > I'm just wondering what's the meaning of "char *fn" in the xdrfile_???.h 
> > as in:
> > 
> > /* This function returns the number of atoms in the xtc file in *natoms */
> >   extern int read_xtc_natoms(char *fn,int *natoms);
> > 
> >   /* Read one frame of an open xtc file */
> >   extern int read_xtc(XDRFILE *xd,int natoms,int *step,float *time,
> >                       matrix box,rvec *x,float *prec);
> > 
> > Is the "char *fn" the name of the xdr file?
> yes.
> 
> please check the test program, for examples.
> 
> > Can anyone give me a clue? Thanks very much.
> > Lanyuan Lu
> > 
> > 
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> > 
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> 
> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Professor of Biology
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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