Hi Hong,
> I used Amber 10. What you mean is that just Amber 11 can calculate the
> dipole moment, but the Amber 10 can not do it?
Amber 10 should work as well for QM/MM runs, it calculates the dipole using
the mulliken charges. What do you mean by it does not work? - Have you tried
it classically?
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Mon Aug 23 2010 - 12:00:03 PDT
