Hi Amber members,
I am wondering that what kind of charges are for all_amino94.lib in Amber7.0.
Are they Esp or Resp?
I first want to reproduce the charges for Arg with same geometry in
all_amino94.lib and calculate the charges for neutral Arg.
When I calculate charges using same geometry and method, am I supposed to have
same charges for each residue as those in all_amino94.lib, right?
Thanks.
Mikyung
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Received on Sat May 01 2004 - 00:53:01 PDT
