Dear amber users,
I was calculating energy decomposition using amber 14, but the format of
the output file is very confusing (see below). It is difficult to get an
idea of corresponding values. I am wondering if anyone can help with this?
Thanks a lot.
*Total Energy Decomposition:Residue,Location,Internal,,,van der
Waals,,,Electrostatic,,,Polar Solvation,,,Non-Polar
Solv.,,,TOTAL,,,,Avg.,Std. Dev.,Std. Err. of Mean,Avg.,Std. Dev.,Std. Err.
of Mean,Avg.,Std. Dev.,Std. Err. of Mean,Avg.,Std. Dev.,Std. Err. of
Mean,Avg.,Std. Dev.,Std. Err. of MeanLEU 30,R LEU
30,0.0,0.0,0.0,-0.46839669421487606,0.20703596842209954,0.018821451674736322,-0.3577355371900832,0.16788606765397437,0.015262369786724943,0.3176033057851239,0.14043795014279953,0.012767086376618138,-0.01619892892561984,0.01182669847043759,0.0010751544064034173,-0.5247278545454552,0.20332935368895727,0.018484486698996116*
Regards,
Nadia
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Received on Wed Sep 03 2014 - 22:00:02 PDT
