[gmx-users] (no subject)

Erik Lindahl lindahl at stanford.edu
Wed Jul 17 18:33:30 CEST 2002

Anton Feenstra wrote:

>Justin Lorieau wrote:
>>Hi Anton,
>>        The reason for my concern was because I observed significant unfolding at
>>the dimer interface when one of the subunits jumped over to the other end of
>>the box. If the interactions remain the same, then the unfolding I was
>>looking at was due to real unfolding.
>The interactions are indeed supposed to be indifferent to PBC, 
>however  there was mention in the lists of some bugs related to 
>PBC, if I remember correctly it was in combintation with PME...
No, as you'll find on the list that bug only occurs for very skewed 
triclinic boxes and will cause a segmentation fault error,
so I'm pretty sure you are only seeing a perfectly normal translation!



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