3 * This source code is part of
7 * GROningen MAchine for Chemical Simulations
10 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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33 * GROningen Mixture of Alchemy and Childrens' Stories
41 int cmain(int argc,char *argv[])
50 { efTPX, NULL, NULL, ffREAD },
51 { efXML, "-r", NULL, ffREAD },
52 { efXML, "-o", NULL, ffWRITE }
54 #define NFILE asize(fnm)
56 CopyRight(stderr,argv[0]);
57 parse_common_args(&argc,argv,0,NFILE,fnm,0,NULL,0,NULL,0,NULL);
60 if (opt2bSet("-r",NFILE,fnm))
61 read_xml(opt2fn("-r",NFILE,fnm),&step,&t,&lambda,&ir,
62 box,&natoms,&x,&v,&f,&top);
66 read_tpxheader(ftp2fn(efTPX,NFILE,fnm),&tpx,FALSE);
70 read_tpx(ftp2fn(efTPX,NFILE,fnm),&step,&t,&lambda,&ir,
71 box,&natoms,x,v,f,&top);
73 /*write_xml(opt2fn("-o",NFILE,fnm),step,t,lambda,&ir,box,natoms,x,v,f,&top);*/