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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