[gmx-users] Can gromacs got average position of a molecule

qiwenpeng at sinap.ac.cn qiwenpeng at sinap.ac.cn
Thu Dec 8 02:51:39 CET 2005

Dear All:

I use gromacs3.3 to simulate a DNA. After Equilibration I got the energy of bond is about 240 kj/mol , but the status on an article is 130 kj/mol .

I think it may be the conformation of the molecule need to be average over a few ps .

Is there any functions that gromacs has enclude to do this?

Thank you all!!
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