Comparison of force-field implementations: Difference between revisions

Content deleted Content added
Undid revision 717742080 by 89.131.51.110 (talk)
Undid revision 717742035 by 89.131.51.110 (talk)
Line 11:
!QVBMM
!UFF
!GROMOS
! Comments
|-
Line 17 ⟶ 16:
|UA
|94, 96, 99SB, 03, GS, i
|
|
|
Line 30 ⟶ 28:
|'''+'''
|'''+'''
|
|
|
Line 41 ⟶ 38:
|'''+'''<ref>CHARMM force field via "chamber" tool since v11</ref>
|'''+'''
|
|
|
Line 60 ⟶ 56:
|UA
|94, 99SB, 03
|
|
|
Line 79 ⟶ 74:
|-
|[http://users.abo.fi/mivainio/balloon/ Balloon]
|
|
|
Line 91 ⟶ 85:
|[[BOSS (molecular mechanics)|BOSS]]
|'''+'''
|
|
|
Line 106 ⟶ 99:
|'''+'''<ref>Through [http://www.charmm-gui.org/ CHARMM-GUI]</ref>
|'''~'''<ref>Full MMFF94 implementation within CHARMM but code is rumored to have fallen in disrepair</ref>
|
|
|
Line 124 ⟶ 116:
|
|'''+'''
|
|
|
Line 135 ⟶ 126:
|
|'''+'''
|
|
|
Line 148 ⟶ 138:
|'''+'''
|'''+'''
|
|
|
Line 158 ⟶ 147:
|'''+'''
|'''(+)'''<ref>as BIO+ implementation</ref>
|
|
|
Line 180 ⟶ 168:
|'''+'''
|'''+'''
|
|
|
Line 210 ⟶ 197:
|94, 96, 98, 99
|19, 27
|
|
|
Line 230 ⟶ 216:
|
|94,96,99,03
|
|
|