[gmx-users] On using CO2 as solvent
paeanball at gmail.com
Fri May 24 00:21:27 CEST 2013
Following the tutorial on building biphasic system from Justin, I put the
decane in a box and equilibrated it first. Then I increased the size of
Then I wanted to put some CO2 molecules to make a biphasic system.
When I used the following command to do that, I can only add 16 co2
molecules, which is really weird.
genbox_d -cp d10_newbox.gro -cs co2.gro -o d10_solv.gro -p d104.top
Resulting image can be found from the following link.
When I used
genbox_d -cp d10_newbox.gro -cs -o d10_solv.gro -p d104.top
More than 4000 water molecules were added.
Could you please tell me what happened here?
How to use co2 to be the solvent?
Thank you very much.
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