/****Start trajectory processing***/
//Initialize Densdevel and PBC-remove
- //gpbc=gmx_rmpbc_init(&top->idef,ePBC,top->atoms.nr,box);
+ gpbc=gmx_rmpbc_init(&top->idef,ePBC,top->atoms.nr,box);
*Densdevel=NULL;
do {
- //gmx_rmpbc(gpbc,natoms,box,x0);
- //Reset Densslice every nsttblock steps
+ gmx_rmpbc(gpbc,top->atoms.nr,box,x0);
+ //Reset Densslice every nsttblock steps
if ( framenr % nsttblock==0 ){
snew(Densslice,*xslices);
for (i=0;i<*xslices;i++) {
//Free memory we no longer need and exit.
- //gmx_rmpbc_done(gpbc);
+ gmx_rmpbc_done(gpbc);
close_trj(status);
}