From 95d762b9ddf730a468ee49257f973cea46be44b7 Mon Sep 17 00:00:00 2001
From: Niklaus Johner <nij2003@med.cornell.edu>
Date: Tue, 19 Jul 2011 17:30:56 -0400
Subject: [PATCH] Corrected an error in mol.alg.AnalyzeRMSD
---
modules/mol/alg/src/trajectory_analysis.cc | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/modules/mol/alg/src/trajectory_analysis.cc b/modules/mol/alg/src/trajectory_analysis.cc
index 012b77b32..2c1225e75 100644
--- a/modules/mol/alg/src/trajectory_analysis.cc
+++ b/modules/mol/alg/src/trajectory_analysis.cc
@@ -144,8 +144,8 @@ std::vector<Real> AnalyzeRMSD(const CoordGroupHandle& traj, const EntityView& re
rmsd.reserve(ceil(traj.GetFrameCount()/float(stride)));
std::vector<unsigned long> sele_indices;
std::vector<geom::Vec3> ref_pos;
- GetIndices(reference_view, sele_indices);
- GetPositions(sele_view, ref_pos);
+ GetIndices(sele_view, sele_indices);
+ GetPositions(reference_view, ref_pos);
for (size_t i=0; i<traj.GetFrameCount(); i+=stride) {
CoordFramePtr frame=traj.GetFrame(i);
rmsd.push_back(frame->GetRMSD(ref_pos,sele_indices));
--
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