GROMACS version: 2023.3
GROMACS modification: Yes/No
Hello,
I am running gmx hbond and am wondering how to have it so that the autocorrelation function is calculated over 200 picoseconds. It seems that the arguemnts -acflen does not work or I am not using it properly. I understand that the default is half of the given timeframe, how could I make it whole, for example. Thank you for your time.
gmx hbond -f …/…/…/new4.xtc -s …/…/…/hd_1i1f.tpr -num test3.xvg -b 0 -e 200 -n res_water1.ndx -P 1 -temp 310 -ac acf_test3.xvg