[gmx-users] force field

Maryam Kowsar maryam.kowsar at gmail.com
Sun Aug 9 17:47:19 CEST 2015


let me modify my previous message: in the g_x2top command, not grompp :-)

On Sun, Aug 9, 2015 at 8:14 PM, Maryam Kowsar <maryam.kowsar at gmail.com>
wrote:

> Hi Mohammad,
>
> Yes that's possible. You should just have the necessary files of your
> desired forcefield(.atp,.itp,...), and put them in a folder. in the grompp
> command just add -ff folder name. that's all! It will use your forcefield
> instead of the present forcefields in gromacs.
>
> Regards,
> -Maryam
>
> On Sun, Aug 9, 2015 at 5:57 PM, mohammad r <mohammad.r0325 at yahoo.com>
> wrote:
>
>> Hi;
>> I want to use ff14SB Amberprotein force field. But it isn't included in
>> the gromacs force fields list.Is it possible to use this force field? How
>> can I add it in?Thank you, Mohammad.
>> --
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>


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