[gmx-users] amount of solvent

[Nur Syafiqah Abdul Ghani]

Dear All,

I would like to do the simulation between water and other solvent.
One question that i curious to know which is how i want to put the
amount of solvent, HFIP before i insert the water?
Its suppose 80% of HFIP and 20% of water.
But the starting point of my pdb already 1 nmol which only 1 compound of HFIP.
So how can i insert the other amount of HFIP  before I insert the
water molecule?

Thanks in advance,

-- 
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
013-7188131
alternative email : syafiqahabdulghani at gmail.com