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

[Florian Haberl]

Hi

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:

http://www.gromacs.org/pipermail/gmx-users/2004-November/012902.html

should help you

Greetings,

Florian


-- 
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 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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