[gmx-users] Tetrahedral Order Parameter

m g dr_m_ganj at yahoo.com
Wed Sep 18 22:36:15 CEST 2019

Dear Justi,I want to calculate the Tetrahedral Order Parameter (Q) for water in my simulation system. I used "gmx hydorder" command but it is not clear for me. what kinds of flag must be use exactly? how can I set correct number for "-sgang1 and -sgang2" flags? This command is very confusing. how can I get Q?Thanks,Sana

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