Hi Sharmi,

You can define the strain by these variables:

variable Lz equal lz

variable ztmpr equal "lz"

variable lzr equal ${ztmp}

variable strain equal "(lz - v_lzr)/v_lzr"

The way this command works is at the end the box will be 3 times the original length lz

strain = (3*lz-lz)/lz

=2.

The strain on your simulation box will be equal to 2

Now, divide this strain by the total run time for the deform command. For ex. 100 ps total run

strain rate = 2/100 = 0.02

And no the effect of interval won't matter

For ex.

calculate the no. of times the strain will be applied, i.e. total run time (ps)/interval time (ps)

for example, if your run is for 100 ps and interval (N) is 20 ps then the deformation is applied 5 times

2/5=0.4

that is each 20 ps 0.4 strain is applied, which turns out to be the same as the above answer 0.02

However, the simulations could have different outcomes when the interval step is increased significantly with high strains

Nitin Luhadiya Such a clear explanation. Thanks a lot.