Re: Re: CCL:How can get charge distribution fastly and correctly in MDS of biomolecules.

 from what you told me, i got that:
 in principle, one should calculate charge distribution in molecule for each time
 during simulation. major reason is that one cannot do this job just because it
 time very much if calculating for all steps. another minor reason is that
 with polarizale isnot existing.
 Best Wishes With You
 Li Guo Hui
 State Key Lab of Molecular Reaction Dynamics
 Dalian Institute of Chemical Physics
 Chinese Academy of Sciences