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Make defaultInputStateFile specific to GROMACS >= 2024
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giacomofiorin committed Nov 11, 2023
1 parent 081c95a commit 95b7f73
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions src/colvarmodule.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -407,8 +407,10 @@ int colvarmodule::parse_global_params(std::string const &conf)
parse->get_keyval(conf, "sourceTclFile", source_Tcl_script);
#endif

parse->get_keyval(conf, "defaultInputStateFile", default_input_state_file_,
default_input_state_file_);
if (proxy->engine_name() == "GROMACS" && proxy->version_number() >= 20231003) {
parse->get_keyval(conf, "defaultInputStateFile", default_input_state_file_,
default_input_state_file_);
}

return error_code;
}
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