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

OZGE ENGIN OZENGIN at KU.EDU.TR
Sat Mar 17 11:17:27 CET 2007


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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