[gmx-users] Non-periodic COM Pulling

[Daniel Kozuch]

Hello,

Is it possible to do non-periodic COM pulling using the distance function
in GMX 5.14 (i.e. where the distance between the two groups is calculated
ignoring pbc)?

In the tutorials/online the solution seems to be to simply use a box twice
the size of the largest pulling distance, but that would be very
computationally expensive for me.

Best,
Dan