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.
11 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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33 * Gyas ROwers Mature At Cryogenic Speed
50 edExport, edBonds, edFilter, edNR
54 emQuit, emHelp, emAbout, emNotImplemented, emNR
58 eExpGromos, eExpPDB, eExpNR
62 char confout[256]; /* Export file */
63 int ExpMode; /* Export mode */
64 t_dlg **dlgs; /* Temporary storage for dlgs */
65 int which_mb; /* Which mb is visible */
66 t_dlg **mboxes; /* id for message boxes */
67 t_filter *filter; /* Filter for visibility etc. */
68 t_windata *wd; /* The main window */
69 t_pulldown *pd; /* The pull-down menu */
70 t_manager *man; /* The manager */
71 /*t_statrec *sr;*/ /* The statistics dlg */
72 t_logo *logo; /* The gromacs logo */
76 IDNEW, IDOPEN, IDOPENED, IDCLOSE, IDIMPORT, IDEXPORT, IDDOEXPORT, IDQUIT, IDTERM,
77 IDEDITTOP, IDEDITCOORDS, IDEDITPARAMS,
78 IDGROMPP, IDRUNMD, IDDOGROMPP, IDGSTAT, IDDOGSTAT, IDDORUNMD,
80 IDANIMATE, IDSHOWBOX, IDRMPBC, IDHYDROGEN, IDLABELSOFF, IDRESETVIEW, IDPHOTO,
82 IDBONDOPTS, IDTHIN, IDFAT, IDVERYFAT, IDBALLS,
83 IDNOBOX, IDRECTBOX, IDTRIBOX, IDTOBOX,
84 IDBOND, IDANGLE, IDDIH, IDRMS, IDRDF, IDENERGIES, IDCORR,
87 /* Last line specifies how many IDs there are */
91 extern void run_grompp(t_gmx *gmx);
93 extern void run_mdrun(t_gmx *gmx);
95 extern void write_gmx(t_x11 *x11, t_gmx *gmx, int mess);
97 /*extern void run_sr(t_statrec *sr);
99 extern t_statrec *init_sr();*/
101 extern void init_dlgs(t_x11 *x11, t_gmx *gmx);
103 extern void show_mb(t_gmx *gmx, int mb);
105 extern void done_dlgs(t_gmx *gmx);
107 extern void edit_file(const char *fn);
109 extern t_filter *init_filter(t_atoms *atoms, const char *fn, int natom_trx);
111 extern t_dlg *select_filter(t_x11 *x11, t_gmx *gmx);