There are some python codes to do that., Google it
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Hi All,
Can one calculate Scc order parameter using gmx order ? I have tried the
following:
gmx order -f ***.xtc -n ***.ndx -s ***.tpr -od ***.xvg
This gives me the deuterium order parameter (Scd) . But i am unsure how Scc
is calculated.
Can someone please help me with this.
Thanks !
- Sahithya
