New question #76874 on gedit in ubuntu:
https://answers.launchpad.net/ubuntu/+source/gedit/+question/76874

 Iso-1-cytochrome c contains some water molecules that are of structural 
importance to the heme protein. I am interested in retaining these structural 
water molecules during simulation. I have not been successful. Each time I try 
running the water box (or water sphere) simulation with any water molecule not 
removed, I get an error message that reads, "HT HT OT needs angle parameter". 
But when I remove the water molecules, the simulation runs sucessfully. 
However, I need to run the simulation with some water molecules retained. 
Please how can I do this?
Thanks
Eze




  

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