On 10/14/12 10:41 PM, Nur Syafiqah Abdul Ghani wrote:
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?
http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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