PLUMED-NEST

Project ID: plumID:21.016
Source: input_files/plumed.dat
Originally used with PLUMED version: 2.5
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

#SETTINGS NATOMS=168751
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details. 
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
=hrex_total_renum.pdb

n: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=1-1833
h: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=
@hydrogens
all hydrogen atoms. Click here for more information. 
nnh: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=n 
REMOVE
remove these atoms from the list
=h

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
=nnh

# Rg, Diff
Rg: 
GYRATION
Calculate the radius of gyration, or other properties related to it. More details
 
TYPE
 The type of calculation relative to the Gyration Tensor you want to perform
=RADIUS 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=nnh

full: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_no_contact.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-1
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. 
,
@lcs-2
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. 
,
@lcs-3
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. 
,
@lcs-4
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. 
,
@lcs-5
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. 
,
@lcs-6
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. 
,
@lcs-7
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. 
,
@lcs-8
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 8. Click here for more information. 
,
@lcs-9
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 9. Click here for more information. 
,
@lcs-10
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 10. Click here for more information. 
,
@lcs-11
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. 
,
@lcs-12
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. 
,
@lcs-13
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. 
,
@lcs-14
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 14. Click here for more information. 
,
@lcs-15
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 15. Click here for more information. 
,
@lcs-16
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 16. Click here for more information. 
,
@lcs-17
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 17. Click here for more information. 
,
@lcs-18
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 18. Click here for more information. 
,
@lcs-19
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 19. Click here for more information. 
,
@lcs-20
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 20. Click here for more information. 
,
@lcs-21
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 21. Click here for more information. 
,
@lcs-22
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. 
,
@lcs-23
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. 
,
@lcs-24
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 
,
@lcs-25
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 25. Click here for more information. 
,
@lcs-26
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 26. Click here for more information. 
,
@lcs-27
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 27. Click here for more information. 
,
@lcs-28
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. 
,
@lcs-29
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. 
,
@lcs-30
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. 
,
@lcs-31
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 31. Click here for more information. 
,
@lcs-32
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 32. Click here for more information. 
,
@lcs-33
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 33. Click here for more information. 
,
@lcs-34
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 34. Click here for more information. 
,
@lcs-35
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 35. Click here for more information. 
,
@lcs-36
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 36. Click here for more information. 
,
@lcs-37
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 37. Click here for more information. 
,
@lcs-38
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 38. Click here for more information. 
,
@lcs-39
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 39. Click here for more information. 
,
@lcs-40
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 40. Click here for more information. 
,
@lcs-41
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 41. Click here for more information. 
,
@lcs-42
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 42. Click here for more information. 
,
@lcs-43
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 43. Click here for more information. 
,
@lcs-44
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 44. Click here for more information. 
,
@lcs-45
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 45. Click here for more information. 
,
@lcs-46
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 46. Click here for more information. 
,
@lcs-47
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 47. Click here for more information. 
,
@lcs-48
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 48. Click here for more information. 
,
@lcs-49
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 49. Click here for more information. 
,
@lcs-50
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 50. Click here for more information. 
,
@lcs-51
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 51. Click here for more information. 
,
@lcs-52
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 52. Click here for more information. 
,
@lcs-53
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 53. Click here for more information. 
,
@lcs-54
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 54. Click here for more information. 
,
@lcs-55
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 55. Click here for more information. 
,
@lcs-56
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 56. Click here for more information. 
,
@lcs-57
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 57. Click here for more information. 
The ERMSD action with label full calculates a scalar quantitystem1: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_no_contact.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-1
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. 
,
@lcs-2
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. 
,
@lcs-3
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. 
,
@lcs-4
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. 
,
@lcs-5
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. 
,
@lcs-52
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 52. Click here for more information. 
,
@lcs-53
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 53. Click here for more information. 
,
@lcs-54
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 54. Click here for more information. 
,
@lcs-55
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 55. Click here for more information. 
,
@lcs-56
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 56. Click here for more information. 
,
@lcs-57
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 57. Click here for more information. 
The ERMSD action with label stem1 calculates a scalar quantitystem2: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_no_contact.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-6
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. 
,
@lcs-7
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. 
,
@lcs-8
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 8. Click here for more information. 
,
@lcs-28
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. 
,
@lcs-29
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. 
,
@lcs-30
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. 
The ERMSD action with label stem2 calculates a scalar quantitystem3: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_no_contact.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-11
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. 
,
@lcs-12
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. 
,
@lcs-13
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. 
,
@lcs-14
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 14. Click here for more information. 
,
@lcs-22
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. 
,
@lcs-23
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. 
,
@lcs-24
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 
,
@lcs-25
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 25. Click here for more information. 
The ERMSD action with label stem3 calculates a scalar quantitystem4: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_no_contact.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-39
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 39. Click here for more information. 
,
@lcs-40
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 40. Click here for more information. 
,
@lcs-41
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 41. Click here for more information. 
,
@lcs-42
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 42. Click here for more information. 
,
@lcs-47
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 47. Click here for more information. 
,
@lcs-48
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 48. Click here for more information. 
,
@lcs-49
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 49. Click here for more information. 
,
@lcs-50
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 50. Click here for more information. 

The ERMSD action with label stem4 calculates a scalar quantitydiff: 
CUSTOM
Calculate a combination of variables using a custom expression. More details
 
ARG
the input to this function
=full,stem1,stem2,stem3,stem4 
VAR
the names to give each of the arguments in the function
=full,stem1,stem2,stem3,stem4 
FUNC
the function you wish to evaluate
=sqrt(57*full^2-11*stem1^2-6*stem2^2-8*stem3^2-8*stem4^2 
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO

# eRMSD on the whole structure and stems
fullx: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_solute.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-1
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. 
,
@lcs-2
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. 
,
@lcs-3
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. 
,
@lcs-4
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. 
,
@lcs-5
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. 
,
@lcs-6
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. 
,
@lcs-7
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. 
,
@lcs-8
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 8. Click here for more information. 
,
@lcs-9
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 9. Click here for more information. 
,
@lcs-10
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 10. Click here for more information. 
,
@lcs-11
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. 
,
@lcs-12
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. 
,
@lcs-13
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. 
,
@lcs-14
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 14. Click here for more information. 
,
@lcs-15
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 15. Click here for more information. 
,
@lcs-16
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 16. Click here for more information. 
,
@lcs-17
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 17. Click here for more information. 
,
@lcs-18
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 18. Click here for more information. 
,
@lcs-19
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 19. Click here for more information. 
,
@lcs-20
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 20. Click here for more information. 
,
@lcs-21
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 21. Click here for more information. 
,
@lcs-22
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. 
,
@lcs-23
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. 
,
@lcs-24
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 
,
@lcs-25
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 25. Click here for more information. 
,
@lcs-26
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 26. Click here for more information. 
,
@lcs-27
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 27. Click here for more information. 
,
@lcs-28
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. 
,
@lcs-29
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. 
,
@lcs-30
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. 
,
@lcs-31
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 31. Click here for more information. 
,
@lcs-32
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 32. Click here for more information. 
,
@lcs-33
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 33. Click here for more information. 
,
@lcs-34
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 34. Click here for more information. 
,
@lcs-35
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 35. Click here for more information. 
,
@lcs-36
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 36. Click here for more information. 
,
@lcs-37
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 37. Click here for more information. 
,
@lcs-38
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 38. Click here for more information. 
,
@lcs-39
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 39. Click here for more information. 
,
@lcs-40
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 40. Click here for more information. 
,
@lcs-41
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 41. Click here for more information. 
,
@lcs-42
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 42. Click here for more information. 
,
@lcs-43
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 43. Click here for more information. 
,
@lcs-44
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 44. Click here for more information. 
,
@lcs-45
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 45. Click here for more information. 
,
@lcs-46
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 46. Click here for more information. 
,
@lcs-47
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 47. Click here for more information. 
,
@lcs-48
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 48. Click here for more information. 
,
@lcs-49
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 49. Click here for more information. 
,
@lcs-50
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 50. Click here for more information. 
,
@lcs-51
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 51. Click here for more information. 
,
@lcs-52
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 52. Click here for more information. 
,
@lcs-53
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 53. Click here for more information. 
,
@lcs-54
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 54. Click here for more information. 
,
@lcs-55
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 55. Click here for more information. 
,
@lcs-56
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 56. Click here for more information. 
,
@lcs-57
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 57. Click here for more information. 
The ERMSD action with label fullx calculates a scalar quantitystem1x: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_solute.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-1
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 1. Click here for more information. 
,
@lcs-2
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 2. Click here for more information. 
,
@lcs-3
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 3. Click here for more information. 
,
@lcs-4
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 4. Click here for more information. 
,
@lcs-5
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 5. Click here for more information. 
,
@lcs-52
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 52. Click here for more information. 
,
@lcs-53
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 53. Click here for more information. 
,
@lcs-54
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 54. Click here for more information. 
,
@lcs-55
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 55. Click here for more information. 
,
@lcs-56
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 56. Click here for more information. 
,
@lcs-57
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 57. Click here for more information. 
The ERMSD action with label stem1x calculates a scalar quantitystem2x: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_solute.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-6
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 6. Click here for more information. 
,
@lcs-7
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 7. Click here for more information. 
,
@lcs-8
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 8. Click here for more information. 
,
@lcs-28
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 28. Click here for more information. 
,
@lcs-29
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 29. Click here for more information. 
,
@lcs-30
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 30. Click here for more information. 
The ERMSD action with label stem2x calculates a scalar quantitystem3x: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_solute.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-11
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 11. Click here for more information. 
,
@lcs-12
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 12. Click here for more information. 
,
@lcs-13
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 13. Click here for more information. 
,
@lcs-14
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 14. Click here for more information. 
,
@lcs-22
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 22. Click here for more information. 
,
@lcs-23
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 23. Click here for more information. 
,
@lcs-24
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 24. Click here for more information. 
,
@lcs-25
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 25. Click here for more information. 
The ERMSD action with label stem3x calculates a scalar quantitystem4x: 
ERMSD
Calculate eRMSD with respect to a reference structure. More details
 
REFERENCE
a file in pdb format containing the reference structure and the atoms involved in the CV
=npt_solute.pdb 
ATOMS
the list of atoms (use lcs)
=
@lcs-39
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 39. Click here for more information. 
,
@lcs-40
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 40. Click here for more information. 
,
@lcs-41
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 41. Click here for more information. 
,
@lcs-42
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 42. Click here for more information. 
,
@lcs-47
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 47. Click here for more information. 
,
@lcs-48
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 48. Click here for more information. 
,
@lcs-49
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 49. Click here for more information. 
,
@lcs-50
an ordered triplet of atoms on the 6-membered ring of the nucleobase in residue 50. Click here for more information. 


# SAXS computation and Ratio CV
The ERMSD action with label stem4x calculates a scalar quantity
INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
 
FILE
file to be included
=cg_map.dat
# The command:
# INCLUDE FILE=cg_map.dat
# ensures PLUMED loads the contents of the file called cg_map.dat
# The contents of this file are shown below (click the red comment to hide them).
bead1: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=3,6,8 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead2: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=9,23,25,27 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead3: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=11,12 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead4: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=20,21,22 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead5: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=14,16,17 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead6: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=30,31,32,33,29 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead7: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=34,37,39 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead8: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=40,54,56,58 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead9: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=42,43 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead10: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=51,52,53 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead11: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=45,47,48 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead12: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=61,62,63,64,60 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead13: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=65,68,70 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead14: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=71,87,89,91 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead15: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=73,86 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead16: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=83,85 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead17: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=78,79,82 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead18: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=74,76,77 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead19: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=94,95,96,97,93 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead20: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=98,101,103 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead21: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=104,121,123,125 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead22: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=106,120 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead23: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=115,116,119 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead24: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=111,112,113 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead25: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=107,109,110 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead26: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=128,129,130,131,127 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead27: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=132,135,137 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead28: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=138,155,157,159 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead29: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=140,154 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead30: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=149,150,153 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead31: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=145,146,147 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead32: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=141,143,144 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead33: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=162,163,164,165,161 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead34: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=166,169,171 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead35: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=172,188,190,192 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead36: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=174,187 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead37: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=184,186 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead38: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=179,180,183 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead39: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=175,177,178 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead40: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=195,196,197,198,194 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead41: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=199,202,204 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead42: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=205,218,220,222 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead43: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=207,208 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead44: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=214,216,217 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead45: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=210,212,213 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead46: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=225,226,227,228,224 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead47: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=229,232,234 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead48: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=235,252,254,256 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead49: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=237,251 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead50: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=246,247,250 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead51: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=242,243,244 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead52: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=238,240,241 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead53: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=259,260,261,262,258 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead54: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=263,266,268 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead55: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=269,282,284,286 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead56: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=271,272 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead57: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=278,280,281 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead58: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=274,276,277 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead59: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=289,290,291,292,288 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead60: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=293,296,298 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead61: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=299,315,317,319 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead62: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=301,314 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead63: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=311,313 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead64: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=306,307,310 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead65: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=302,304,305 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead66: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=322,323,324,325,321 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead67: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=326,329,331 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead68: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=332,349,351,353 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead69: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=334,348 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead70: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=343,344,347 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead71: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=339,340,341 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead72: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=335,337,338 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead73: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=356,357,358,359,355 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead74: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=360,363,365 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead75: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=366,383,385,387 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead76: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=368,382 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead77: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=377,378,381 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead78: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=373,374,375 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead79: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=369,371,372 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead80: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=390,391,392,393,389 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead81: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=394,397,399 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead82: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=400,414,416,418 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead83: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=402,403 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead84: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=411,412,413 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead85: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=405,407,408 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead86: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=421,422,423,424,420 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead87: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=425,428,430 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead88: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=431,444,446,448 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead89: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=433,434 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead90: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=440,442,443 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead91: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=436,438,439 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead92: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=451,452,453,454,450 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead93: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=455,458,460 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead94: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=461,474,476,478 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead95: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=463,464 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead96: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=470,472,473 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead97: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=466,468,469 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead98: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=481,482,483,484,480 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead99: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=485,488,490 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead100: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=491,507,509,511 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead101: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=493,506 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead102: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=503,505 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead103: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=498,499,502 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead104: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=494,496,497 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead105: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=514,515,516,517,513 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead106: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=518,521,523 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead107: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=524,541,543,545 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead108: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=526,540 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead109: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=535,536,539 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead110: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=531,532,533 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead111: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=527,529,530 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead112: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=548,549,550,551,547 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead113: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=552,555,557 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead114: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=558,574,576,578 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead115: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=560,573 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead116: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=570,572 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead117: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=565,566,569 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead118: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=561,563,564 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead119: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=581,582,583,584,580 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead120: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=585,588,590 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead121: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=591,607,609,611 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead122: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=593,606 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead123: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=603,605 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead124: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=598,599,602 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead125: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=594,596,597 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead126: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=614,615,616,617,613 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead127: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=618,621,623 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead128: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=624,641,643,645 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead129: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=626,640 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead130: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=635,636,639 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead131: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=631,632,633 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead132: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=627,629,630 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead133: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=648,649,650,651,647 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead134: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=652,655,657 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead135: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=658,672,674,676 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead136: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=660,661 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead137: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=669,670,671 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead138: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=663,665,666 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead139: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=679,680,681,682,678 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead140: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=683,686,688 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead141: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=689,705,707,709 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead142: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=691,704 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead143: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=701,703 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead144: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=696,697,700 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead145: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=692,694,695 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead146: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=712,713,714,715,711 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead147: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=716,719,721 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead148: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=722,739,741,743 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead149: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=724,738 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead150: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=733,734,737 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead151: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=729,730,731 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead152: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=725,727,728 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead153: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=746,747,748,749,745 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead154: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=750,753,755 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead155: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=756,770,772,774 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead156: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=758,759 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead157: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=767,768,769 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead158: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=761,763,764 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead159: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=777,778,779,780,776 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead160: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=781,784,786 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead161: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=787,801,803,805 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead162: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=789,790 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead163: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=798,799,800 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead164: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=792,794,795 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead165: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=808,809,810,811,807 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead166: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=812,815,817 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead167: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=818,834,836,838 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead168: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=820,833 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead169: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=830,832 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead170: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=825,826,829 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead171: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=821,823,824 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead172: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=841,842,843,844,840 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead173: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=845,848,850 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead174: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=851,864,866,868 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead175: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=853,854 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead176: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=860,862,863 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead177: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=856,858,859 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead178: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=871,872,873,874,870 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead179: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=875,878,880 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead180: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=881,895,897,899 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead181: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=883,884 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead182: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=892,893,894 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead183: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=886,888,889 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead184: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=902,903,904,905,901 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead185: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=906,909,911 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead186: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=912,928,930,932 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead187: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=914,927 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead188: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=924,926 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead189: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=919,920,923 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead190: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=915,917,918 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead191: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=935,936,937,938,934 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead192: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=939,942,944 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead193: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=945,958,960,962 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead194: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=947,948 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead195: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=954,956,957 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead196: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=950,952,953 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead197: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=965,966,967,968,964 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead198: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=969,972,974 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead199: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=975,988,990,992 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead200: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=977,978 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead201: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=984,986,987 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead202: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=980,982,983 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead203: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=995,996,997,998,994 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead204: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=999,1002,1004 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead205: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1005,1018,1020,1022 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead206: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1007,1008 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead207: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1014,1016,1017 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead208: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1010,1012,1013 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead209: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1025,1026,1027,1028,1024 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead210: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1029,1032,1034 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead211: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1035,1051,1053,1055 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead212: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1037,1050 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead213: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1047,1049 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead214: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1042,1043,1046 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead215: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1038,1040,1041 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead216: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1058,1059,1060,1061,1057 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead217: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1062,1065,1067 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead218: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1068,1084,1086,1088 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead219: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1070,1083 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead220: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1080,1082 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead221: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1075,1076,1079 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead222: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1071,1073,1074 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead223: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1091,1092,1093,1094,1090 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead224: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1095,1098,1100 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead225: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1101,1117,1119,1121 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead226: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1103,1116 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead227: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1113,1115 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead228: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1108,1109,1112 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead229: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1104,1106,1107 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead230: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1124,1125,1126,1127,1123 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead231: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1128,1131,1133 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead232: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1134,1151,1153,1155 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead233: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1136,1150 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead234: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1145,1146,1149 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead235: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1141,1142,1143 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead236: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1137,1139,1140 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead237: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1158,1159,1160,1161,1157 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead238: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1162,1165,1167 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead239: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1168,1184,1186,1188 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead240: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1170,1183 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead241: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1180,1182 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead242: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1175,1176,1179 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead243: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1171,1173,1174 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead244: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1191,1192,1193,1194,1190 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead245: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1195,1198,1200 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead246: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1201,1217,1219,1221 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead247: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1203,1216 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead248: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1213,1215 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead249: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1208,1209,1212 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead250: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1204,1206,1207 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead251: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1224,1225,1226,1227,1223 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead252: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1228,1231,1233 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead253: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1234,1250,1252,1254 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead254: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1236,1249 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead255: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1246,1248 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead256: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1241,1242,1245 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead257: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1237,1239,1240 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead258: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1257,1258,1259,1260,1256 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead259: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1261,1264,1266 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead260: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1267,1284,1286,1288 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead261: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1269,1283 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead262: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1278,1279,1282 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead263: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1274,1275,1276 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead264: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1270,1272,1273 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead265: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1291,1292,1293,1294,1290 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead266: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1295,1298,1300 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead267: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1301,1315,1317,1319 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead268: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1303,1304 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead269: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1312,1313,1314 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead270: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1306,1308,1309 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead271: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1322,1323,1324,1325,1321 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead272: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1326,1329,1331 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead273: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1332,1349,1351,1353 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead274: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1334,1348 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead275: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1343,1344,1347 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead276: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1339,1340,1341 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead277: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1335,1337,1338 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead278: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1356,1357,1358,1359,1355 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead279: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1360,1363,1365 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead280: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1366,1379,1381,1383 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead281: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1368,1369 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead282: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1375,1377,1378 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead283: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1371,1373,1374 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead284: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1386,1387,1388,1389,1385 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead285: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1390,1393,1395 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead286: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1396,1412,1414,1416 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead287: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1398,1411 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead288: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1408,1410 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead289: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1403,1404,1407 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead290: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1399,1401,1402 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead291: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1419,1420,1421,1422,1418 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead292: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1423,1426,1428 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead293: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1429,1445,1447,1449 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead294: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1431,1444 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead295: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1441,1443 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead296: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1436,1437,1440 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead297: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1432,1434,1435 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead298: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1452,1453,1454,1455,1451 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead299: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1456,1459,1461 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead300: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1462,1475,1477,1479 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead301: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1464,1465 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead302: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1471,1473,1474 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead303: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1467,1469,1470 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead304: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1482,1483,1484,1485,1481 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead305: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1486,1489,1491 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead306: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1492,1508,1510,1512 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead307: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1494,1507 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead308: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1504,1506 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead309: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1499,1500,1503 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead310: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1495,1497,1498 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead311: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1515,1516,1517,1518,1514 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead312: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1519,1522,1524 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead313: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1525,1542,1544,1546 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead314: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1527,1541 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead315: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1536,1537,1540 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead316: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1532,1533,1534 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead317: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1528,1530,1531 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead318: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1549,1550,1551,1552,1548 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead319: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1553,1556,1558 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead320: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1559,1573,1575,1577 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead321: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1561,1562 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead322: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1570,1571,1572 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead323: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1564,1566,1567 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead324: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1580,1581,1582,1583,1579 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead325: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1584,1587,1589 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead326: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1590,1603,1605,1607 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead327: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1592,1593 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead328: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1599,1601,1602 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead329: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1595,1597,1598 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead330: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1610,1611,1612,1613,1609 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead331: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1614,1617,1619 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead332: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1620,1634,1636,1638 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead333: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1622,1623 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead334: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1631,1632,1633 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead335: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1625,1627,1628 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead336: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1641,1642,1643,1644,1640 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead337: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1645,1648,1650 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead338: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1651,1667,1669,1671 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead339: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1653,1666 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead340: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1663,1665 
WEIGHTS
what weights should be used when calculating the center
=12,14
bead341: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1658,1659,1662 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead342: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1654,1656,1657 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead343: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1674,1675,1676,1677,1673 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead344: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1678,1681,1683 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead345: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1684,1698,1700,1702 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead346: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1686,1687 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead347: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1695,1696,1697 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead348: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1689,1691,1692 
WEIGHTS
what weights should be used when calculating the center
=12,12,14
bead349: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1705,1706,1707,1708,1704 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead350: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1709,1712,1714 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead351: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1715,1728,1730,1732 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead352: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1717,1718 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead353: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1724,1726,1727 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead354: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1720,1722,1723 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead355: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1735,1736,1737,1738,1734 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead356: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1739,1742,1744 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead357: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1745,1762,1764,1766 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead358: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1747,1761 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead359: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1756,1757,1760 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead360: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1752,1753,1754 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead361: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1748,1750,1751 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead362: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1769,1770,1771,1772,1768 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead363: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1773,1776,1778 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead364: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1779,1796,1798,1800 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead365: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1781,1795 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead366: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1790,1791,1794 
WEIGHTS
what weights should be used when calculating the center
=12,14,14
bead367: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1786,1787,1788 
WEIGHTS
what weights should be used when calculating the center
=12,16,14
bead368: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1782,1784,1785 
WEIGHTS
what weights should be used when calculating the center
=12,14,12
bead369: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1803,1804,1805,1806,1802 
WEIGHTS
what weights should be used when calculating the center
=31,16,16,16,16
bead370: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1807,1810,1812 
WEIGHTS
what weights should be used when calculating the center
=12,12,16
bead371: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1813,1826,1828,1830 
WEIGHTS
what weights should be used when calculating the center
=12,12,12,16
bead372: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1815,1816 
WEIGHTS
what weights should be used when calculating the center
=14,12
bead373: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1822,1824,1825 
WEIGHTS
what weights should be used when calculating the center
=14,12,16
bead374: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for
=1818,1820,1821 
WEIGHTS
what weights should be used when calculating the center
=12,12,16

martini: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=bead1,bead2,bead3,bead4,bead5,bead6,bead7,bead8,bead9,bead10,bead11,bead12,bead13,bead14,bead15,bead16,bead17,bead18,bead19,bead20,bead21,bead22,bead23,bead24,bead25,bead26,bead27,bead28,bead29,bead30,bead31,bead32,bead33,bead34,bead35,bead36,bead37,bead38,bead39,bead40,bead41,bead42,bead43,bead44,bead45,bead46,bead47,bead48,bead49,bead50,bead51,bead52,bead53,bead54,bead55,bead56,bead57,bead58,bead59,bead60,bead61,bead62,bead63,bead64,bead65,bead66,bead67,bead68,bead69,bead70,bead71,bead72,bead73,bead74,bead75,bead76,bead77,bead78,bead79,bead80,bead81,bead82,bead83,bead84,bead85,bead86,bead87,bead88,bead89,bead90,bead91,bead92,bead93,bead94,bead95,bead96,bead97,bead98,bead99,bead100,bead101,bead102,bead103,bead104,bead105,bead106,bead107,bead108,bead109,bead110,bead111,bead112,bead113,bead114,bead115,bead116,bead117,bead118,bead119,bead120,bead121,bead122,bead123,bead124,bead125,bead126,bead127,bead128,bead129,bead130,bead131,bead132,bead133,bead134,bead135,bead136,bead137,bead138,bead139,bead140,bead141,bead142,bead143,bead144,bead145,bead146,bead147,bead148,bead149,bead150,bead151,bead152,bead153,bead154,bead155,bead156,bead157,bead158,bead159,bead160,bead161,bead162,bead163,bead164,bead165,bead166,bead167,bead168,bead169,bead170,bead171,bead172,bead173,bead174,bead175,bead176,bead177,bead178,bead179,bead180,bead181,bead182,bead183,bead184,bead185,bead186,bead187,bead188,bead189,bead190,bead191,bead192,bead193,bead194,bead195,bead196,bead197,bead198,bead199,bead200,bead201,bead202,bead203,bead204,bead205,bead206,bead207,bead208,bead209,bead210,bead211,bead212,bead213,bead214,bead215,bead216,bead217,bead218,bead219,bead220,bead221,bead222,bead223,bead224,bead225,bead226,bead227,bead228,bead229,bead230,bead231,bead232,bead233,bead234,bead235,bead236,bead237,bead238,bead239,bead240,bead241,bead242,bead243,bead244,bead245,bead246,bead247,bead248,bead249,bead250,bead251,bead252,bead253,bead254,bead255,bead256,bead257,bead258,bead259,bead260,bead261,bead262,bead263,bead264,bead265,bead266,bead267,bead268,bead269,bead270,bead271,bead272,bead273,bead274,bead275,bead276,bead277,bead278,bead279,bead280,bead281,bead282,bead283,bead284,bead285,bead286,bead287,bead288,bead289,bead290,bead291,bead292,bead293,bead294,bead295,bead296,bead297,bead298,bead299,bead300,bead301,bead302,bead303,bead304,bead305,bead306,bead307,bead308,bead309,bead310,bead311,bead312,bead313,bead314,bead315,bead316,bead317,bead318,bead319,bead320,bead321,bead322,bead323,bead324,bead325,bead326,bead327,bead328,bead329,bead330,bead331,bead332,bead333,bead334,bead335,bead336,bead337,bead338,bead339,bead340,bead341,bead342,bead343,bead344,bead345,bead346,bead347,bead348,bead349,bead350,bead351,bead352,bead353,bead354,bead355,bead356,bead357,bead358,bead359,bead360,bead361,bead362,bead363,bead364,bead365,bead366,bead367,bead368,bead369,bead370,bead371,bead372,bead373,bead374
# --- End of included input --- 
SAXS
Calculates SAXS intensity. More details
 ...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=saxs
ATOMS
The atoms to be included in the calculation, e
=martini
MARTINI
 Calculate SAXS for a Martini model

NOPBC
 Ignore the periodic boundary conditions when calculating distances

SCALEINT=1
QVALUE1
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.001
QVALUE2
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.025
QVALUE3
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.05
QVALUE4
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.075
QVALUE5
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.1
QVALUE6
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.2
QVALUE7
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.25
QVALUE8
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.35
... SAXS

The SAXS action with label saxs calculates the following quantities:
 Quantity   
 Description  
saxs.score
the Metainference score
saxs.sigma
uncertainty parameter
saxs.sigmaMean
uncertainty in the mean estimate
saxs.neff
effective number of replicas
saxs.acceptSigma
MC acceptance for sigma values
saxs.q
The # SAXS of q
SAXS
Calculates SAXS intensity. More details
 ...
LABEL
a label for the action so that its output can be referenced in the input to other actions
=saxs_bias

ATOMS
The atoms to be included in the calculation, e
=martini
MARTINI
 Calculate SAXS for a Martini model

NOPBC
 Ignore the periodic boundary conditions when calculating distances

SCALEINT=1
QVALUE1
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.1
QVALUE2
Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2, 
=0.2
... SAXS

The SAXS action with label saxs_bias calculates the following quantities:
 Quantity   
 Description  
saxs_bias.score
the Metainference score
saxs_bias.sigma
uncertainty parameter
saxs_bias.sigmaMean
uncertainty in the mean estimate
saxs_bias.neff
effective number of replicas
saxs_bias.acceptSigma
MC acceptance for sigma values
saxs_bias.q
The # SAXS of qratio: 
CUSTOM
Calculate a combination of variables using a custom expression. More details
 
FUNC
the function you wish to evaluate
=(a*0.01)/(b*0.04 
ARG
the input to this function
=saxs_bias.q-0,saxs_bias.q-1 
VAR
the names to give each of the arguments in the function
=a,b 
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO

# walls on the stems, on Rg and on Ratio
uwall1: 
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=stem1x 
AT
the positions of the wall
=0.7 
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.3
uwall2: 
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=stem2x 
AT
the positions of the wall
=0.7 
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.3
uwall3: 
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=stem3x 
AT
the positions of the wall
=0.7 
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.3
uwall4: 
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=stem4x 
AT
the positions of the wall
=0.7 
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.3

lwall:  
LOWER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=Rg 
AT
the positions of the wall
=1.60 
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.01
uwall:  
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=Rg 
AT
the positions of the wall
=2.5  
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.01

uwall_ratio:  
UPPER_WALLS
Defines a wall for the value of one or more collective variables, More details
 
ARG
the arguments on which the bias is acting
=ratio 
AT
the positions of the wall
=2.7  
KAPPA
the force constant for the wall
=41.84 
EXP
 the powers for the walls
=2 
EPS
 the values for s_i in the expression for a wall
=0.01

# metadynamics
meta: 
METAD
Used to performed metadynamics on one or more collective variables. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=ratio,diff 
SIGMA
the widths of the Gaussian hills
=0.035,0.05 
HEIGHT
the heights of the Gaussian hills
=2.09 
BIASFACTOR
use well tempered metadynamics and use this bias factor
=10 
PACE
the frequency for hill addition
=400 
GRID_MIN
the lower bounds for the grid
=0,0 
GRID_MAX
the upper bounds for the grid
=8,14 
STRIDE
the frequency with which the forces due to the bias should be calculated
=2

# print stuff
The METAD action with label meta calculates the following quantities:
 Quantity   
 Description  
meta.bias
the instantaneous value of the bias potential
PRINT
Print quantities to a file. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=(saxs\.q-.*),ratio 
FILE
the name of the file on which to output these quantities
=colvar_check_saxs 
STRIDE
 the frequency with which the quantities of interest should be output
=5000
PRINT
Print quantities to a file. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=Rg,ratio,diff,full,(stem.),(.*x),meta.bias,(uwall.\.bias),lwall.bias,uwall.bias,uwall_ratio.bias 
FILE
the name of the file on which to output these quantities
=COLVAR_metad 
STRIDE
 the frequency with which the quantities of interest should be output
=100