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 onv2.10
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

MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=aacg.pdb WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details ENTITY0the 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 INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plumed_beads.dat INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plumed-restraints.dat INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=plumed-SAXS_12q.dat