FAQ¶
Error in LatticeReduction.cpp when using a trajectory from AMBER¶
(tools/LatticeReduction.cpp:42) static void PLMD::LatticeReduction::sort(PLMD::Vector*)
+++ assertion failed: m[1]<=m[2]*onePlusEpsilon
This is related to how PLUMED reads the lattice vector information from the input files. It might be a problem specific to AMBER, see this discussion. In some cases it can be solved by converting the trajectory to pdb format and then erasing the CRYST record. Otherwise try a different PLUMED version or convert the trajectory to a different format.