IndexMap.resize(0);
IndexMap.push_back(_backboneAtoms);
std::cout << "Trouble :(" << std::endl;
- *(IndexMap[i].resinfo) = top.atoms()->resinfo[resicompare];
+ *(IndexMap[i].resinfo) = top.atoms()->resinfo[static_cast<std::size_t>(*(initParams.sel_.atomIndices().begin()))];
std::cout << "First resi is " << IndexMap[i].resinfo->name << std::endl;
for (gmx::ArrayRef<const int>::iterator ai{ initParams.sel_.atomIndices().begin() }; (ai != initParams.sel_.atomIndices().end()); ++ai){