tfmc & spring/self

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1

Dear all,

I want to use “fix tfmc” for a simulation cell with periodic boundary condition on two faces along the x-direction, periodic boundary condition on two faces along the z-direction, and shrink-wrapped boundary condition on the two faces normal to the y-direction. Also, I have a free surface on one face along the y-direction and a fixed-block with a thickness of 5 (Å) using “fix spring/self”. Now, please see my questions listed below.

2

I suggest you contact the author of the fix tfmc command with these Qs.
His name is listed at the top of the src/MC/fix_tfmc.cpp source file.

Steve

3

Dear Dr. Plimpton,

Thanks for your reply, and following your suggestion, I pasted the answers that I got from Dr. Bal below for users who may have the same concerns.

Yours truly,

Reza.