-mol option in gromacs analysis

User discussions
1

GROMACS version:
GROMACS modification: Yes/No
Here post your question
Hello Dear friends
When I use the -mol option for clustsize analysis, it gives me an error. -mol yes
What is the correct way to use option mol for this analysis?
Thanks in advance

2

Hi,
Which type of error do you get?
Note that the option -mol requires that you provide a tpr file (with option -s).
\Alessandra

3

Thank you so much.
I get this error:
Fatal error:
Lo: 0.000000, Mid: 1.000000, Hi: 1.000000
I use tpr file for -s option.
Thank you

4

Hi
You can get this error when only one cluster is detected and the cluster have as size the total number of the molecule.
I hope it helps
\Alessandra