[gmx-users] amount of solvent

Nur Syafiqah Abdul Ghani pqah123 at gmail.com
Mon Oct 15 04:41:46 CEST 2012

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,
alternative email : syafiqahabdulghani at gmail.com

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