diff --git a/examples/USER/pimd/para-h2/in.scp b/examples/USER/pimd/para-h2/in.scp index 25e07c47a2..eac3f066b8 100644 --- a/examples/USER/pimd/para-h2/in.scp +++ b/examples/USER/pimd/para-h2/in.scp @@ -20,7 +20,7 @@ thermo ${out_freq} velocity all create 1.0 1985 rot yes dist gaussian -fix 1 all quantum method nmpimd fmass 1.0 temp 25.0 nhc 4 +fix 1 all pimd method nmpimd fmass 1.0 temp 25.0 nhc 4 dump dcd all dcd ${out_freq} dcd/${job_name}_${ibead}.dcd