[gmx-users] tables

Mark Abraham Mark.Abraham at anu.edu.au
Fri Aug 21 14:00:07 CEST 2009

zhangjianguo2002 wrote:
> Thanks,Mark
>  I have  read section 6.7 of the version 4.0 ,I find that somethings different from the manual of version 3.3, in version 4.0, the f' replaces f'',that means that column is the first derivative of the potential,that is force,am I right?

Yes, they are different. I don't know whether it's a documentation 
error, or an actual change. Compare the contents of some .xvg files in 
share/gromacs/top to see if the numbers have changed between GROMACS 


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