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&cntrl ihfree=0, qwt=0.0005, =2 &end 1.0. Mol1 0 3 8 0 1 0 1 2. The lines contain the following information: Title Control keywords. Weight of the moleculeihfree=1 tells RESP we only want the weak restraint on the heavy atoms. qwt= 0.0005 Strength of the restraint in A.U. =2 tells RESP to read in initial charges ...

Aug 25, 2017 You will occasionally come across a binary options broker site that really stands out from the crowd because of their all-round great products ...Aug 23, 2017 IQ Option is one of the most popular names in the binary options industry. It is a binary brokerage that has been operating for four years now.. = 1. reset all initial charges to zero (default). = 2. read in new initial charges from -q unit. = 3. read in new initial charges from -q unit and perform averaging ...

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