This is part of the generic module

Print the effective energy drift described in Ref [43]

Compulsory keywords

STRIDE	( default=1 ) should be set to 1. Effective energy drift computation has to be active at each step.
FILE	file on which to output the effective energy drift.
PRINT_STRIDE	frequency to which output the effective energy drift on FILE

Options

ENSEMBLE	( default=off ) Set to TRUE if you want to average over multiple replicas.
FMT	the format that should be used to output real numbers
RESTART	allows per-action setting of restart (YES/NO/AUTO)
UPDATE_FROM	Only update this action from this time
UPDATE_UNTIL	Only update this action until this time

Examples

This is to monitor the effective energy drift for a metadynamics simulation on the Debye-Huckel energy. Since this variable is very expensive, it could be conveniently computed every second step.

dh: DHENERGY GROUPA=1-10 GROUPB=11-20 EPSILON=80.0 I=0.1 TEMP=300.0
METAD ARG=dh HEIGHT=0.5 SIGMA=0.1 PACE=500 STRIDE=2
EFFECTIVE_ENERGY_DRIFT PRINT_STRIDE=100 FILE=eff

This is to monitor if a restraint is too stiff

d: DISTANCE ATOMS=10,20
RESTRAINT ARG=d KAPPA=100000 AT=0.6
EFFECTIVE_ENERGY_DRIFT PRINT_STRIDE=100 FILE=eff