[gmx-users] simulation with new force field

[David van der Spoel]

On 09/06/16 11:23, Chen Jingzhi wrote:
> Hi GMX user,
>
>
> If I want to do a simulation with a force field that does not exist in gromacs, such as computing electrostatic interaction in Debye-Huckel form and treating hydrophobic interaction with empirical function, is it possible to do with gromacs?
>
>
> BW
>
> Jingzhi
>
I don't want to discourage you from trying, but the main selling points 
of gromacs are speed, force field support and analysis tools. By 
implementing what you are proposing the first two advantages disappear 
and you may be better off using a different code.


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se