[gmx-users] separation of two strands of DNA during of simulation

shahab shariati shahab.shariati at gmail.com
Sun May 30 08:27:48 CEST 2010


Dear Justin

thanks for your attention.

You said that separation of two strands of DNA during of simulation is a
normal consequence of periodic boundary conditions. I had used periodic
boundary condition in mdp file as following:

Periodic boundary conditions:
pbc              = xyz

Should I delete pbc from mdp file?

Whether elimination of pbc prevents separation of two strand of DNA?


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