diff --git a/CHANGES/v2.4.md b/CHANGES/v2.4.md index 422b9ad0392ed969b4f1ea5a48e1723e92e37f43..d19cc5733bc675cabbf0fabd262dfc1e505a1698 100644 --- a/CHANGES/v2.4.md +++ b/CHANGES/v2.4.md @@ -244,5 +244,6 @@ For users: - More robust backup for output files when running over multiple processes - Fixed a regression in the performances of GEOMETRY based flexible hills in \ref METAD and \ref PBMETAD - Fixed \issue{538}. + - Fixed potential issue with VMD plugins from 1.9.4 (\issue{545}, thanks to Lixin Sun). diff --git a/src/cltools/Driver.cpp b/src/cltools/Driver.cpp index 5d31302ee0c9aeba323f6b7f2fbe53b4b952e874..1b83024064341db532bfa97c92bc9fcd44aa53fd 100644 --- a/src/cltools/Driver.cpp +++ b/src/cltools/Driver.cpp @@ -386,6 +386,7 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) { void *h_in=NULL; molfile_timestep_t ts_in; // this is the structure that has the timestep ts_in.coords=NULL; + ts_in.velocities=NULL; ts_in.A=-1; // we use this to check whether cell is provided or not #endif