[gmx-users] after genbox

Nur Syafiqah Abdul Ghani pqah123 at gmail.com
Wed Dec 5 04:20:17 CET 2012

Hi guys,

I'm doing simulation with mix-solvent which is hexafluoroisopropaonol
and water and it needs percentage v/v.The percentage for the ration is
80% of hfip and 20% water..
I already put the solvent by using using the command

genbox -cp protein_box.gro -ci hfi.gro -nmol 1000 -cs spc216.gro -p
control.top -o protein_mix.gro

So,i already got the value and my question is,how i want to calculate
the percentage of the ratio to make sure the % is the one that i want?

Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
alternative email : syafiqahabdulghani at gmail.com

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