GROMACS version:
GROMACS modification: No
Hi,
I need to find the angular pair correlation function in bulk water,
Following was the command I run
" gmx sorient -o sorient1.xvg -rmin 0 -rmax 0.1 -f prd.xtc -s prd.tpr"
and I ended up with the following error message,
“Range checking error:
Variable ii1 has value -2147483648. It should have been within [ 0 … 101 ]”
Do you familiar with this type of error handling?
TIA
Cheers
Kal