[gmx-users] the protein drifts when molecular dynanic simulation

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Tue Nov 30 14:15:15 CET 2004


On Tuesday 30 November 2004 13:39, zjim wrote:
> Dear gmx-user
> When perform protein md in a box with, the protein drifts to one side of
> the box,and as the md ends(6 ns),some of it even comes out the box,this
> maybe a problem. so my quesition is why is the protein drift when
> simulation and how to avoid this. Somebody maybe help me
> thank you in advance

perhaps you got same prob i got:


should help you



 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de

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