Example for the water model

comecattin · Jun 6, 2024 · b0db14c · b0db14c
1 parent 90706a1
commit b0db14c
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/examples/example_input.dat b/examples/example_input.dat
@@ -1,4 +1,6 @@
-50       ! Number of particles
+30       ! Number of particles
 10000    ! Number of steps
 0.001    ! Time step
 10.0     ! Box length
+1.0e-6   ! SHAKE constraints algorithm tolerance
+100      ! SHAKE constraints algorithm max iterations