taking into account the
position on the other side of the box and not the real one. Therefore my system
collapses.
Any suggestion on this will be very appreciated.
Marisa Roman
Philadelphia, US
PS: I could print out coordinates of the beads involved to see the problem:
step 970, will finish at Wed
the pulling
pull_init1 = 1.46 1.19 3.05 ;pulling from the N-terminal, positions respect
to the reference group
pull_nstxout = 1000
pull_nstfout = 1000
Any comments will be more than welcome
Marisa Roman
mb...@drexel.edu
Physics Dept.
Drexel University - Philadelphia - USA
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