gmx::AnalysisNeighborhoodSearch nbsearch = nbhood.initSearch(pbc, gmx::AnalysisNeighborhoodPositions(fr.x, fr.natoms));
gmx::AnalysisNeighborhoodPair pair;
for (const auto &i : inputColor) {
- std::cout << i.first << std::endl;
gmx::AnalysisNeighborhoodPairSearch pairSearch = nbsearch.startPairSearch(inputFrame[i.second].as_vec());
int count1 {0};
while (pairSearch.findNextPair(&pair)) {
- std::cout << count1 << std::endl;
+ std::cout << i.first << " " << ++count1 << std::endl;
for (const auto &j : inputIndex) {
if (pair.refIndex() == j) {
return true;