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
versions.
Mark
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