Skip to content
/ amber-slipids-dang-topol Public

forcefield and topologies based on Amber99SB-ILDN, Slipids and Dang ions -- mostly for the use with lipidate eGFP constructs

1 star 0 forks Branches Tags Activity
Star
Notifications You must be signed in to change notification settings

jmelcr/amber-slipids-dang-topol

BranchesTags

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

7 Commits
amber99sb-ildn_RyckBellDihs_lambdaFEP.ff
amber99sb-ildn_RyckBellDihs_lambdaFEP.ff
 
 
amber99sb-ildn_RyckBellDihs_lambdaFEP_dirtyFAR.ff
amber99sb-ildn_RyckBellDihs_lambdaFEP_dirtyFAR.ff
 
 
amber99sb-ildn_original.ff
amber99sb-ildn_original.ff
 
 
amber99sb-ildn_with_CysFar.ff
amber99sb-ildn_with_CysFar.ff
 
 
plumed_general_inputs
plumed_general_inputs
 
 
slipids.ff
slipids.ff
 
 
POPC.itp
POPC.itp
 
 
POPCvs.itp
POPCvs.itp
 
 
POPS.itp
POPS.itp
 
 
POPSvs.itp
POPSvs.itp
 
 
README.md
README.md
 
 
TIP3p.itp
TIP3p.itp
 
 
TIP3p_lowmass.itp
TIP3p_lowmass.itp
 
 
cholesterol-VIS.itp
cholesterol-VIS.itp
 
 
forcefield-amber+slipids+Dang-ions.itp
forcefield-amber+slipids+Dang-ions.itp
 
 
forcefield-amber99sb-ildn+slipids+Dang-ions.itp
forcefield-amber99sb-ildn+slipids+Dang-ions.itp
 
 
forcefield-amber99sb-ildn+slipids+Dang-ions_lambda-FEP.itp
forcefield-amber99sb-ildn+slipids+Dang-ions_lambda-FEP.itp
 
 
grompp_direct_MD.mdp
grompp_direct_MD.mdp
 
 
grompp_direct_MD_2fs-nonVS_colder-heatup.mdp
grompp_direct_MD_2fs-nonVS_colder-heatup.mdp
 
 
grompp_direct_MD_3fs_cold-heatup.mdp
grompp_direct_MD_3fs_cold-heatup.mdp
 
 
grompp_direct_MD_bulk.mdp
grompp_direct_MD_bulk.mdp
 
 
grompp_direct_MD_field.mdp
grompp_direct_MD_field.mdp
 
 
grompp_direct_MD_lambda-FEP.mdp
grompp_direct_MD_lambda-FEP.mdp
 
 
grompp_direct_MD_lambda-FEP_bulk.mdp
grompp_direct_MD_lambda-FEP_bulk.mdp
 
 
grompp_direct_MD_pull.mdp
grompp_direct_MD_pull.mdp
 
 
grompp_direct_MD_replex.mdp
grompp_direct_MD_replex.mdp
 
 
grompp_minim.mdp
grompp_minim.mdp
 
 
grompp_minim_noconstr.mdp
grompp_minim_noconstr.mdp
 
 
histidines_protonation_states.txt
histidines_protonation_states.txt
 
 
ions_Dang.itp
ions_Dang.itp
 
 
tip3p.itp
tip3p.itp
 
 
wilCleGFP_amber99sb-ildn.itp
wilCleGFP_amber99sb-ildn.itp
 
 
wilCleGFP_amber99sb-ildn.top
wilCleGFP_amber99sb-ildn.top
 
 
wilCleGFP_amber99sb-ildn_VS.itp
wilCleGFP_amber99sb-ildn_VS.itp
 
 
wilCleGFP_amber99sb-ildn_VS.top
wilCleGFP_amber99sb-ildn_VS.top
 
 
wilCleGFP_amber99sb-ildn_VS_lambda-FEP.top
wilCleGFP_amber99sb-ildn_VS_lambda-FEP.top
 
 
wilCleGFP_amber99sb-ildn_lambda-FEP.top
wilCleGFP_amber99sb-ildn_lambda-FEP.top
 
 
wilCleGFP_amber_OPLScompat_VS.itp
wilCleGFP_amber_OPLScompat_VS.itp
 
 
wilCleGFP_amber_OPLScompat_VS.top
wilCleGFP_amber_OPLScompat_VS.top
 
 
wilCleGFP_amber_OPLScompat_VS_posre.itp
wilCleGFP_amber_OPLScompat_VS_posre.itp
 
 
wileGFP_amber99SB-ILDN_VS_no-anchor.itp
wileGFP_amber99SB-ILDN_VS_no-anchor.itp
 
 
wileGFP_amber99sb-ildn_VS_lambda-FEP.top
wileGFP_amber99sb-ildn_VS_lambda-FEP.top
 
 

Repository files navigation

amber-slipids-dang-topol

Force field with additional parameters and residues for eGFP lipidated constructs

added residues:

CYM - cysteine-palmitoylated

CYF - cysteine farnesylated

About

forcefield and topologies based on Amber99SB-ILDN, Slipids and Dang ions -- mostly for the use with lipidate eGFP constructs

Resources

Readme
Activity

Stars

1 star

Watchers

2 watching

Forks

0 forks
Report repository

Releases

No releases published

Packages

No packages published

Languages