[gmx-users] Re :minimization error

Rongliang Wu wurl04 at iccas.ac.cn
Tue Dec 27 08:32:27 CET 2005

Hello gmx-users,
           i have solved the minimization error myself but i found a wierd phenomenon.
           my original box was 4.463 4.463 3, i inserted 15 molecules and the densities was very low about 150g/l
, it was before adding solvent molecules, and it still could not do minimizations. i found there were molecules too close to each other, i enlarged the box but it didn't work. later, out of curiosity, i reduced the box size to 4 4 2 and interting the same 15 molecules, it worked! why? will it be more crowded if the box is too large? 



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

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