Hello everyone,
I have been struggling to find a way to supply initial coordinates and
initial velocities to a molecule like pentane. I want to add about 2500
molecules of pentane to a box, but all these molecules must have initial
positions and velocities. I have used ghemical to draw the molecule and
converted it to the pdb format, so I have only coordinates for one molecule.
How do I generate initial coordinates and velocities for the other 2499
molecules from scratch? Please, help me out.
Thank you,
Lum
“If you’re too busy to pray then you’re busier than God wants you to be.
There’s nothing beyond the reach of prayer except that which is outside the
will of God.” - A man of God.
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