[gmx-users] how could have integrated structure after sa.
hazizian at razi.tums.ac.ir
Wed Mar 11 07:53:51 CET 2009
1- Is it possible to change the pbc condition from xyz(default) to
after finishing the annealing, in order to reach an integrated sturcture
instead of wraped one?
2- What command should I execute? is fixed by trjconv?
3-It is probably a simple question, in MD we have also PBC set to xyz but
the final structure is not wraped, what is the resean?
Thank's for replying.
Tehran University of Medical Sciences
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