d.mohammadyani at gmail.com
Fri Jul 6 21:06:30 CEST 2012
Why does GROMACS just provide PBC for boundary condition?
However, LAMPPS as an example provides four kind of boundary:
periodic, non-periodic and fixed, non-periodic and shrink-wrapped and
non-periodic and shrink-wrapped with a minimum value.
PBC makes problem when you want to make movie in VMD, even you add some
mirror-wise molecule in each direction.
Is there anyway to figure out this problem?
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