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root/freemol/trunk/src/mengine/src/active.c
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# Line 1 | Line 1
1   #define EXTERN extern
2  
3   #include "pcwin.h"
4 #include "pcmod.h"
4   #include "fix.h"
5  
6 < void set_active()
6 > void set_active(int natom,int *use,int natom_fix,int *katom_fix);
7 >
8 > void set_active(int natom,int *use,int natom_fix,int *katom_fix)
9   {
10     int i;
11     for (i=1; i <= natom; i++)
12 <          atom.use[i] = TRUE;
12 >          use[i] = TRUE;
13  
14   // fixed atoms
15 <   for (i=0; i < fx_atom.natom_fix; i++)
16 <        atom.use[fx_atom.katom_fix[i]] = FALSE;
15 >   for (i=0; i < natom_fix; i++)
16 >       use[katom_fix[i]] = FALSE;
17   }

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