[gmx-users] monitor distance during simulation

[David L. Bostick]

Hello,

I wish to monitor the distance between two groups during simulation in a
similar way to how it is done when umbrella sampling using the pull code.
That is... I wish to umbrella sample in one dimension using the pull code
and monitor the distance between two groups for each umbrella sampling run
so that I may construct a 2-D histogram from the data.  I wish to obtain
the distance between the two groups without analyzing a trajectory file,
because to sample the system at the same frequency as the pull code would
waste a lot of disk space. Is there a way to do this?

David