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- debug
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:52:32 +0000
(17:52 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 14:52:32 +0000
(17:52 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index 1ee6d789b03b703898439487e05e340e8ea11c4f..4da5c5b21d6f8d26f97520324bc97af0972ad378 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-498,6
+498,7
@@
colorVec::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, gmx::Trajecto
betaListsRVecsEvaluation(trajectoryFrame, betaLists[frnr], betaListsRVecs, indexCA);
for (size_t i = 0; i < colorsToPeptide.size(); ++i) {
if (colorsToPeptide[i]) {
+ std::cout << "searching for beta-lists\n";
searchNearBetaLists(trajectoryFrame, betaLists[frnr], colorsNames[i], colorsToBeta[i], aminoacidsIndex, effRad * 9000);
}
}