[gmx-users] DNA will not stay in the middle of the box

[Benjamin Woiczikowski]

Hi,

I simulate DNA molecules in water with counterions. To keep the DNA in the 
middle of the box I had the following options in the input file:

comm_mode = angular
comm_grps=dna

For the old version (3.3.2) it worked but now (4.0.2) there are warnings and 
at the end the DNA doens't stay in the middle of the box.

Can somebody help?

Regards,
Ben
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Paul Benjamin Woiczikowski
Department of Physical and Theoretical Chemistry
Technische Universität Braunschweig
Hans-Sommer Strasse 10
D-38106 Braunschweig
Germany

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