Monte carlo simulations

[sajid iqbal]

Dear Users, 

I want to run MC simulations to calculate the single step energies. I want 
to set up two boxes and put one RNA molecule in box1 using pdb file and put 
fixed number of polyethylene molecules in box2. I want to move RNA molecule 
from box1 to box2 and calculate the energy of box2 or just RNA in box2 at 
fix temp and pressure. Can I run this kind of calculations and how ? Any 
idea would be great help.

I tried MCCCS towhee but there is always error with coords file. if someone 
needs more details i can provide. 

Thank you very much

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