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HyperChem& Protonation

Mark Jason Logan mjlogan at whale.st.usm.edu
Wed Aug 3 14:25:51 EST 1994

   Does anyone out there have the OPLS .tpl parameters for the protonated
forms of aspartic and glutamic acid?  I have already done some tweaking on
my own using the atom types supplied by Jorgensen but with these new atom
types my peptide converges very quickly, much more quickly then with the
deprotonated forms of aspartic and glutamic acid.  Any input would be
appreciated since I am still quite new to all of this.

Thanks in advance


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