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jheningiacomofiorin
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fix: accept extended Lagrangian colvars in VMD
when the temperature is not defined
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src/colvar.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -725,7 +725,7 @@ int colvar::init_extended_Lagrangian(std::string const &conf)
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enable(f_cv_total_force_calc);
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} else {
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// Standard case of coupling to a geometric colvar
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if (temp <= 0.0) { // Then a finite temperature is required
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if (temp <= 0.0 && proxy->simulation_running()) { // Then a finite temperature is required
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if (temp_provided)
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cvm::error("Error: \"extendedTemp\" must be positive.\n", COLVARS_INPUT_ERROR);
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else

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