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

From: Li Guo Hui <[email-masked]>
Date: Fri, 15 Oct 1999 22:2:8 +0800

Dear,Mr.Liu:
from what you told me, i got that:
in principle, one should calculate charge distribution in molecule for each time step 
during simulation. major reason is that one cannot do this job just because it cost 
time very much if calculating for all steps. another minor reason is that forcefield 
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