gmx_bool bShowTimestep=TRUE,bOK,newline=FALSE;
t_trxstatus *status;
gmx_mtop_t mtop;
- gmx_localtop_t *top;
+ gmx_localtop_t *top=NULL;
t_state state;
t_inputrec ir;
if (tpr) {
read_tpx_state(tpr,&ir,&state,NULL,&mtop);
+ top = gmx_mtop_generate_local_top(&mtop,&ir);
}
new_natoms = -1;
natoms = -1;
}
natoms=new_natoms;
if (tpr) {
- top = gmx_mtop_generate_local_top(&mtop,&ir);
chk_bonds(&top->idef,ir.ePBC,fr.x,fr.box,tol);
}
if (fr.bX)