[gmx-users] periodicity and correct output

Vitaly Chaban vvchaban at gmail.com
Mon Jul 26 06:26:47 CEST 2010


Is there an option in any gromacs utility to apply periodicity to the
output configuration or trajectory? I want to get all the coordinates
just within an elementary box, between 0 and LBOX in spite of any
details of the system.

For example, "editconf -no(pbc)" does not do its work since after
processing negative coordinates are sometimes present as well as those
bigger than LBOX.


Dr. Vitaly Chaban

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