Problem with shrinking the simulation box

the issue is with the use of the fix halt command, which terminates your calculation prematurely. the evidence is all in the log file:

if you look at your log file you should see that ${runsteps} evaluates to 5000001
but if you look further down at your log file, you see this line:

Fix halt 10 condition met on step 10001 with value 32.7744 (…/fix_halt.cpp:193)

so your simulation stops after 10001 of 5000001 steps and hence only a small part of the scaling requested from fix deform has been applied by that point already. if you remove the fix halt command or change the runstep variable to evaluate to 10001 you should see the full box scaling.


Dear Axel,

Thank you very much for your help,

It works now.


stanard MP