[gmx-users] (no subject)

Mark Abraham mark.abraham at anu.edu.au
Thu Jan 20 07:28:46 CET 2011

On 01/20/11, aish at rri.res.in wrote:
> Dear gmx users,
>              Can anyone please help me out with the commands used for
> finding the pair correlation function of the water molecules
> with respect to the C alpha atom of the protein and 
> reorientational time correlation function of the water.??

Yes. GROMACS comes with dozens of utility programs, which are grouped by category in section 7.4, discussed in the next chapter, and described individually in detail in the appendices. Do look in those places first before emailing the list - it will be faster and you'll learn more.

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