[gmx-users] amount of solvent
Nur Syafiqah Abdul Ghani
pqah123 at gmail.com
Mon Oct 15 04:41:46 CEST 2012
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
Thanks in advance,
Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
alternative email : syafiqahabdulghani at gmail.com
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