Re: CCL:point charges in GAMESS ?
On Wed, 5 Aug 1998 MARYJO %-% at %-% neu.edu wrote:
> Hello.
>
> Does anybody know whether there is a version of GAMESS which will
> allow input of point charges?
>
> I want to represent the environment of my molecule as an array of
> point charges.
As far as I know, CHARMM/GAMESS is the way to go if you want the
MM enviroment. Otherwise, you can "cheat" the program by putting each
point charge as an effective fragment with only the monopole part. If you
have a lot of point charges, however, you have to re-compile the GAMESS
package after changing the maximum # of allowed EF types.
Good luck.
>
> Thanks very much,
>
> Mary j.o.
>
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