Hi,
I am running MD simulation in approximately 1.25x1.25x1.25 nm box
containing 64 waters and one LiF ion pair in NpT ensemble using gromacs
4.5.5 version. I am constraining the distance between ions using pull code
and printing out force:
; COM PULLING
pull = constraint
pull
Hi,
I'm running MD on a 30x30x7,5nm system in which I pull two proteins
away from each other. I have successfully pulled them apart to 9.4nm.
But when I now use a
pull_init1 = 9.59
pull_start = no
pull_rate1 = 0
pull_dim = Y Y Y
At one point, I get the following error message
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