On 11/10/16 10:46 AM, Lindsay, Richard J. wrote:
Hi,
I am attempting to follow the gromacs umbrella sampling tutorial but have run
into an issue at the data analysis step.
When I run the gmx wham command I get only one histogram, even though I
collected 24 umbrella trajectories.
You're
Hi,
I am attempting to follow the gromacs umbrella sampling tutorial but have run
into an issue at the data analysis step.
When I run the gmx wham command I get only one histogram, even though I
collected 24 umbrella trajectories.
Here is the command I am running:
gmx wham -it tpr-files.dat
