Acflen is not working with hbond command

User discussions
1

GROMACS version: 2019.4
GROMACS modification: No

Hi,
I am using GROMACS 2019.4 and trying to calculate ACF for H-binds. By default, the length of ACF is taken as half of the total length (i.e. 500 ns for a 1us run).

Now to change this length from 500 ns to 200 ns, I choose -acflen 20000 with total frames equals to 100,000. But, it always gives the ACF output flle (c(t) vs t) for 500 ns length (i.e. -acflen 50000 which is default).

I used the following command:
gmx_mpi_d hbond -f 1us_noPBC.xtc -s step7_1.tpr -num h_numbond.xvg -acflen 20000 -ac h_acf.xvg -dist h_distance.xvg -ang h_angle.xvg -life h_lifetime.xvg -r 0.35 -a 30 -noda

Am I missing something in the above command?

Regards.

2

Did you find any solution to this issue?
I have the same question, why is it default to half of the simulation length?
Why can’t we change it?

3

This forum is practically useless. No one bothers to reply. Unfortunately the problem is not yet solved for me.

4

Hi Prithwish,
Please calm your tone.
People are doing this without any compensation. It is actually nobody’s job really.
So I think we shall respect their unconditional help whenever offered.
In my exp. sometimes people may take time to get back, especially if it is a very specific question related to a very specific option, which may be people have not really used/tried.
Or may be our question is based on half baked knowledge…

Lets try to re-word our question or read more literature/manual…