In this paper the dependence of the Electrostatic Potential (ESP) fitted charges, that play an important role in Molecular Mechanics (MM) calculation on the conformations, is studied It is concluded that in order to accurately calculate the energy of one conformation, the (ESP) charges corresponding to the studied conformation must be used Systematic search method is used to search the conformers of CH3-CH(CONH2)CH2-CH2-CONH2 which is the model compound of Polyacrylamide and 16 stable conformers are found. The most stable conformer is also obtained.
LI ZERONG ,MUHAMMAD ASHRAF KHAN ,ANMIN TIAN ,
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