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[lammps-users] fix NPT and fix move
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[lammps-users] fix NPT and fix move


From: liyi bai <liyibai2011@...24...>
Date: Wed, 11 Apr 2018 22:35:45 +0900

Dear all.

I want to run MD simulation with NP(z)T ensemble for system of two plates immersed in water.

I am wondering that the correct way combine fix npt  and fix move command.

I wrote input below,I am not sure if it is correct. Can any one give me some suggestion?



fix      6   water   shake 0.0001 20 0 b 1 a 1
fix      7   water   npt temp $T $T 100.0 z 1.0 1.0 100.0  dilate all    # control system only on z direcation

fix      8   plates1       move linear 0.0 0.0 0.0 units box   #fix plates 1
fix      9   plates2       move linear 0.0 0.0 0.0 units box   #fix plates 2


Thank you very much

best wishes

 liyi