fixed fill command

diff --git a/mdrun.c b/mdrun.c
index bd70d00..c30ce5f 100644 (file)
--- a/mdrun.c
+++ b/mdrun.c
@@ -308,10 +308,12 @@ int mdrun_parse_config(t_mdrun *mdrun) {
                                        fp.lz=atoi(word[++i]);
                                        fp.lc=atof(word[++i]);
                                        mdrun->lc=fp.lc;
+                                       continue;
                                }
                                if(!strncmp(word[i],"eb",2)) {
                                        fp.fill_element=atoi(word[++i]);
                                        fp.fill_brand=atoi(word[++i]);
+                                       continue;
                                }
                                if(word[i][0]=='p') {
                                        i+=1;
@@ -347,6 +349,7 @@ int mdrun_parse_config(t_mdrun *mdrun) {
                                                fp.p_params.d.y=atof(word[++i]);
                                                fp.p_params.d.z=atof(word[++i]);
                                        }
+                                       continue;
                                }
                                if(word[i][0]=='d') {
                                        switch(word[++i][0]) {
@@ -387,6 +390,7 @@ int mdrun_parse_config(t_mdrun *mdrun) {
                                                default:
                                                        break;
                                        }
+                                       continue;
 
                                }
                                i+=1;
@@ -1255,8 +1259,9 @@ int mdrun_hook(void *ptr1,void *ptr2) {
 
                                        create_lattice(moldyn,
                                                       fp->lattice,fp->lc,
-                                                      mdrun->element1,
-                                                      DEFAULT_ATOM_ATTR,0,
+                                                      fp->fill_element,
+                                                      DEFAULT_ATOM_ATTR,
+                                                      fp->fill_brand,
                                                       fp->lx,fp->ly,fp->lz,
                                                       NULL,
                                                       &(fp->p_params),