Thanks Elton for giving me the idea to solve this problem.
Best regards,
Van
On 19 January 2016 at 03:46, Elton Carvalho wrote:
> On Mon, Jan 18, 2016 at 7:43 AM, Cuong Nguyen wrote:
> > [...] I want to get the average temperature as a function of
> > the box's len
ering
Curtin University, Western Australia
Tel. (+61) 45 221 3981
On 17 January 2016 at 03:55, Tsjerk Wassenaar wrote:
> Hi Van,
>
> That's not possible. Your frames would have different numbers of atoms over
> time.
>
> Cheers,
>
> Tsjerk
>
> On Sat, Jan
Hi Gromacs Users,
I have a trajectory (.xtc) of a simulated box (3x3x10) and would like to
cut it in small sub-trajectories (ten 3x3x1) with the same time duration.
it is recommended using trjconv in the manual, however I could not find the
option to do this.
All suggestions are highly appreciat
constraint-algorithm = lincs
Do you have any links or tutorials for that?
Best regards,
Van
Cuong Van Nguyen (PhD Student)
Department of Chemical Engineering
Curtin University, Western Australia
Tel. (+61) 45 221 3981
On 2 October 2015 at 11:16, Cuong Nguyen wrote:
> Thank you Mark
Hi all,
i have run a simulation of a 3x3x10 box for 20 ns. I would like to analyse
the temperature along the length of this box. using g_traj just gave me the
temperature of this whole box as a function of time. Could anyone know the
way to have the temperature as a function of the box's length?
Thank you Mark and Erik,
Van
On Wednesday, 23 September 2015, Mark Abraham
wrote:
> Hi,
>
> On Tue, Sep 22, 2015 at 5:47 PM Cuong Nguyen > wrote:
>
> > Dear Gromacs users,
> >
> > I would like to work out the energy (total and kinetic) as a function of
> &g
Dear Gromacs users,
I would like to work out the energy (total and kinetic) as a function of
the distance from the center of mass of a droplet. However, using g_energy
just gave me the values as a function of time. Could anyone tell me the way
to get the distance dependent values?
Thank you very
