Skip to content
Snippets Groups Projects
Commit 00031453 authored by Giovanni Bussi's avatar Giovanni Bussi
Browse files

Heavier regtest

parent 6ae5c916
No related branches found
No related tags found
No related merge requests found
#! FIELDS time r1 r2 r3 r4 r5 #! FIELDS time r1 r2 r3 r4 r5
0.000000 2.336 2.336 2.336 2.336 2.336 0.000000 3.107 3.107 3.107 3.107 3.107
0.050000 2.336 2.336 2.336 2.336 2.336 0.050000 0.964 0.964 0.964 0.964 0.964
0.100000 2.337 2.337 2.337 2.337 2.337 0.100000 0.936 0.936 0.936 0.936 0.936
0.150000 2.339 2.339 2.339 2.339 2.339 0.150000 0.965 0.965 0.965 0.965 0.965
0.200000 2.337 2.337 2.337 2.337 2.337 0.200000 1.513 1.513 1.513 1.513 1.513
0.250000 1.720 1.720 1.720 1.720 1.720
This diff is collapsed.
type=driver type=driver
# this is to test a different name # this is to test a different name
arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff" arg="--plumed=plumed.dat --timestep=0.05 --ixyz amyloid.xyz --dump-forces ff"
extra_files="../trajectories/trajectory.xyz" extra_files="../trajectories/trajectory.xyz"
r1: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES r1: RMSD REFERENCE=ref1.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES
r2: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES r2: RMSD REFERENCE=ref1.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES
r3: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES r3: RMSD REFERENCE=ref1.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES
r4: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES r4: RMSD REFERENCE=ref1.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES
r5: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES r5: RMSD REFERENCE=ref1.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES
PRINT ... PRINT ...
STRIDE=1 STRIDE=1
......
This diff is collapsed.
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment