[gmx-users] Squishing or Stretching Membranes

Neha nshafique at wesleyan.edu
Tue Jul 9 16:11:41 CEST 2013


Hello everybody,

I had a question about trjconv. After one of my simulations has ended I want
to use the final structure file to run some other simulations. However, what
I want to do is run an NVT run using the average box size of the earlier
run. Since the final structure file will most likely not be at the exact
average I was wondering if I could use trjconv -pbc mol to put all the atoms
in a box either smaller or bigger than the original. 

If that is not possible, what Gromacs tools can I use to do what I described
above?

Thanks!



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