[gmx-users] Periodic Images - clarification

Kavyashree M hmkvsri at gmail.com
Sun Jun 26 08:10:20 CEST 2011


Dear users,

I apologize for asking the same question. but I wanted a clarification
regarding this

I had done a simulation for 100ns which had minimum image violation
after 27ns. I have asked this question several times and people have
suggested me not to use the results. But I just wanted to know if I use
the frames upto 26ns and do an analysis will it be wrong? and if I report
that this minimum image violation had occurred.

Correct me if I am wrong. This minimum image violation occurs only if
the box size is inadequate. is it right? In the present simulation I had
made sure that cut off (1.4nm) was much less than the periodic image
distance 2.0nm. I may just ignore this data and do another simulation,
But I wanted to know this aspect.

Kindly suggest.

Thank you
With Regards
M. Kavyashree
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