[gmx-users] correction for minimum image distance violation
hmkvsri at gmail.com
Fri Aug 12 14:41:42 CEST 2011
I have done some 16 simulations of a protein with mutations,
by keeping the distance between protein atom and the simulation
box to be 1.0nm (i.e, -d option in editconf) but only in one of the
simulation I found violation of minimum image distance. So Should
I increase the box size only for this or should I increase for all and
redo the simulations?
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