Project ID: plumID:20.029
Source: E2F1-DP1_PLUMED-NEST/MULTI_REPLICA/plumed-main.dat
Originally used with PLUMED version: 2.6
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.9
tested onmaster
#SETTINGS NATOMS=303032
#MOLINFO STRUCTURE=../aacg.pdb use this with gromacs
#INCLUDE FILE=../plumed_beads.dat
#INCLUDE FILE=../plumed-restraints.dat 
#INCLUDE FILE=../plumed-SAXS_12q.dat

MOLINFO
This command is used to provide information on the molecules that are present in your system. More details
STRUCTURE
a file in pdb format containing a reference structure
=aacg.pdb
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
ENTITY0
the atoms that make up a molecule that you wish to align
=1-2885,2885-1712:-1,6605-6945,6945-2886:-1,2886-3812,6946-7896
INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
FILE
file to be included
=plumed_beads.dat
INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
FILE
file to be included
=plumed-restraints.dat
INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
FILE
file to be included
=plumed-SAXS_12q.dat