[gmx-users] Membrane box during simulation

Xavier Periole x.periole at chem.rug.nl
Thu Dec 18 11:43:00 CET 2003


What do you mean by you loose the box like shape of a box ?
Is that as Tsjerk suggested that the limits of the representation
of the molecules (lipids) is considering each molecules as an entity
so some atoms can extend outside the exact limits of the box, or you
get a real deformation of the box dimensions ?? In the latter case
some strong forces in the starting structure is likely to be the reason.



   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl

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