+}
+
+int modify_atoms(t_moldyn *moldyn,t_mdrun *mdrun) {
+
+ t_modify_atoms_params *map;
+ t_stage *stage;
+ t_atom *atom;
+ t_3dvec v;
+ int i;
+
+ atom=moldyn->atom;
+ stage=mdrun->stage.current->data;
+ map=stage->params;
+ v.x=0.0; v.y=0.0; v.z=0.0;
+
+ for(i=0;i<moldyn->count;i++) {
+ if(atom[i].tag==map->tag) {
+ v.x=sqrt(2.0*fabs(map->ekin.x)/atom[i].mass);
+ if(map->ekin.x<0.0)
+ v.x=-v.x;
+ v.y=sqrt(2.0*fabs(map->ekin.y)/atom[i].mass);
+ if(map->ekin.y<0.0)
+ v.y=-v.y;
+ v.z=sqrt(2.0*fabs(map->ekin.z)/atom[i].mass);
+ if(map->ekin.z<0.0)
+ v.z=-v.z;
+ v3_copy(&(atom[i].v),&v);
+ printf("%s atom modified: v = (%f %f %f)\n",
+ ME,v.x,v.y,v.z);
+ }
+ }