void print_resall(FILE *out, int nrtp, t_restp rtp[],
gpp_atomtype_t atype)
{
int i,bt;
if (nrtp == 0) {
return;
}
/* print all the ebtsNR type numbers */
fprintf(out,"[ bondedtypes ]\n");
fprintf(out,"; bonds angles dihedrals impropers all_dihedrals nr_exclusions HH14 remove_dih\n");
fprintf(out," %5d %6d %9d %9d %14d %14d %14d %14d\n\n",
rtp[0].rb[0].type,
rtp[0].rb[1].type,
rtp[0].rb[2].type,
rtp[0].rb[3].type,
rtp[0].bAlldih,rtp[0].nrexcl,rtp[0].HH14,rtp[0].bRemoveDih);
for(i=0; i<nrtp; i++) {
if (rtp[i].natom > 0) {
print_resatoms(out,atype,&rtp[i]);
for(bt=0; bt<ebtsNR; bt++)
print_resbondeds(out,bt,&rtp[i]);
}
}
}
void print_resall(FILE *out, int nrtp, t_restp rtp[],
gpp_atomtype_t atype)
{
int i,bt;
if (nrtp == 0) {
return;
}
print_resall_header(out, rtp);
for(i=0; i<nrtp; i++) {
if (rtp[i].natom > 0) {
print_resatoms(out,atype,&rtp[i]);
for(bt=0; bt<ebtsNR; bt++)
print_resbondeds(out,bt,&rtp[i]);
}
}
}