[gmx-users] force field
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>
> 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.
> On Sun, Aug 9, 2015 at 5:57 PM, mohammad r <mohammad.r0325 at yahoo.com>
>> 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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