# vim:ft=plumed

ENVIRONMENTSIMILARITY ...
 SPECIES=1-288:3
 SIGMA=0.05
 CRYSTAL_STRUCTURE=CUSTOM
 REFERENCE_1=env1.pdb
 REFERENCE_2=env2.pdb
 REFERENCE_3=env3.pdb
 REFERENCE_4=env4.pdb
 LABEL=es
 MEAN
... ENVIRONMENTSIMILARITY

ENVIRONMENTSIMILARITY ...
 SPECIES=1-288:3
 SIGMA=0.05
 CRYSTAL_STRUCTURE=CUSTOM
 REFERENCE_1=env1.pdb
 REFERENCE_2=env2.pdb
 REFERENCE_3=env3.pdb
 REFERENCE_4=env4.pdb
 LABEL=es2
 MEAN
 NUMERICAL_DERIVATIVES
... ENVIRONMENTSIMILARITY

DUMPDERIVATIVES ARG=es.mean,es2.mean STRIDE=1 FILE=deriv FMT=%8.5f
