In article <32DBACF1.3C21 at mlucom.urz.uni-halle.de>,
qiecx at mlucom.urz.uni-halle.de wrote:
> The charges used in AMBER are derived from RESP (restrained electrosatic
> potential ) calculations. Does anybody know, if there is a software,
> which does this sort of calculation?
>> I want to use AMBER for MD-Simulations of a coenzyme in protein
> environment. So I have to obtain the charges for the coenzyme in the
> same way like the makers of AMBER have done for all the amino acids.
> ( or at least try )
>> thanks for you help
> Anne
You can get info from Amber Web page:
http://www.amber.ucsf.edu/
