fprintf(out,"CONECT%5d%5d\n",gc->conect[i].ai+1,gc->conect[i].aj+1);
}
}
+
+ gmx_residuetype_destroy(rt);
}
void write_pdbfile(FILE *out,const char *title, t_atoms *atoms,rvec x[],
for(k=0; (k<4); k++,j++) anm[k]=line[j];
anm[k]=nc;
strcpy(anm_copy,anm);
+ rtrim(anm_copy);
atomnumber = NOTSET;
trim(anm);
altloc=line[j];