Index: acpype.py =================================================================== --- acpype.py (revision 366) +++ acpype.py (working copy) @@ -3020,32 +3020,6 @@ acMol2FileName = '%s_%s_%s.mol2' % (base, chargeType, atomType) self.acMol2FileName = acMol2FileName self.charmmBase = '%s_CHARMM' % base - # check for which version of antechamber - if 'amber10' in self.acExe: - if qprog == 'sqm': - self.printWarn("SQM is not implemented in AmberTools 1.2") - self.printWarn("Setting mopac for antechamber") - qprog = 'mopac' - elif qprog == 'divcon': - if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)): - self.printWarn("DIVCON is not installed") - self.printWarn("Setting mopac for antechamber") - qprog = 'mopac' - elif 'amber11' in self.acExe: - if qprog == 'divcon': - self.printWarn("DIVCON is not implemented in AmberTools 1.3 anymore") - self.printWarn("Setting sqm for antechamber") - qprog = 'sqm' - elif qprog == 'mopac': - if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)): - self.printWarn("MOPAC is not installed") - self.printWarn("Setting sqm for antechamber") - return None - qprog = 'sqm' - else: - self.printWarn("Old version of antechamber. Strongly consider upgrading to AmberTools") - self.printWarn("Setting mopac for antechamber") - qprog = 'mopac' self.qFlag = qDict[qprog] self.outTopols = [outTopol] if outTopol == 'all':