[gmx-users] Regarding periodic boundary condition

[amitbehra at chemeng.iisc.ernet.in]

Hello,
After a run usually the molecules seems to be broken due to PBC . Do I
need to convert this .gro file into another .gro file with whole molecule(
using trjconv) before the next step. Will there be any difference in
simulation results ?

Regards,
Amit Behera

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