no change in total energy

Hello everybody,

I have made a system of epoxy (polymer) then I stretched it till it was broken in two half (using fix bond/break command). It worked well but I have another problem. The total energy (TotEng) indicated in the log file did not show any considerable change during the stretching process (around 100eV). Since I was stretching the system by an external displacement I expected the total energy to increase.

I have the following questions:

1- Is there any rule of thumb principle using which one can predict the change in a energy of the system under tension?

2- Is TotEng shown in logfile the parameter I should check or I should look for another energy term?

3- The following is the part of my input file maybe I have done some part wrong.

Hello everybody,
I have made a system of epoxy (polymer) then I stretched it till it was
broken in two half (using fix bond/break command). It worked well but I have
another problem. The total energy (TotEng) indicated in the log file did not
show any considerable change during the stretching process (around 100eV).
Since I was stretching the system by an external displacement I expected the
total energy to increase.
I have the following questions:
1- Is there any rule of thumb principle using which one can predict the
change in a energy of the system under tension?

changes depend on the potentials and potential parameters that you use.

2- Is TotEng shown in logfile the parameter I should check or I should look
for another energy term?

_you_ have to know which energy you want.

3- The following is the part of my input file maybe I have done some part
wrong.

maybe. who can tell?

axel.