[gmx-users] (no subject)

[Y U Sasidhar]

Lakshmi Padmavathi wrote:

> Dear gromacs users,
>
>  
>
>             I would like to calculate partial charges for the small 
> molecule which contains magnesium ion.
>
> So I would like to use games for charge calculation. Could anybody 
> give the suggestions ?
>
>  
>
> I will be very much thankful to you, if anyone can send the example 
> input file for calculating the charge.
>
>  
>
> Thank you very much.
>
>  
>
> Sincerely,
>
>  
>
after running gamess on your input_file.inp the .log and .dat files 
should contain charges; or running molden on the .log file also gives 
charges. If you want to know how to run gamess or prepare input file 
type "gamess tutorial " in google. You will get links to some good 
tutorials.

-- 
 Sasidhar