[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule

[Yang Ye]

try g_trjorder. Some code modification may be needed.

Regards,
Yang Ye

OZGE ENGIN wrote:
> Hi,
>
> I want to calculate the number of solvent molecules within a cutoff distance around the protein molecule. I could not find the appropriate command for this in manual. Moreover, I could not understand the information for g_sorient.Could you give me a more detailed explanation for this? 
>
> Thanks in advance
>
> Ozge Engin
>
>
>
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