|
|
| (42 intermediate revisions by 6 users not shown) |
| Line 1: |
Line 1: |
| go back to [[Main Page]] | | go back to [[Main Page]], [[Computational Resources]] |
|
| |
|
| [[Common Errors]]
| |
|
| |
|
| | * [[ADF]] |
|
| |
|
| ==GAUSS VIEW==
| | * [[CP2K]] |
|
| |
|
| [[GAUSS VIEW]] [http://www.gaussian.com/g_gv/gvtop.htm] | | * [[DACAPO]] |
|
| |
|
| | * [[DL POLY]] |
|
| |
|
| ==ADF==
| | * [[GAUSSIAN]] |
|
| |
|
| | * [[GROMACS]] |
|
| |
|
| [[ADF_2004-USERS GUIDE]] [http://10.0.7.240/wiki/images/files/adf/adf.2004/ADFUsersGuide.pdf] | | * [[JAGUAR]] |
|
| |
|
| [[ADF_2004-GUI TUTORIAL]] [http://10.0.7.240/wiki/images/files/adf/adf.2004/ADFGUI_tutorial.pdf] | | * [[MACROMODEL]] |
|
| |
|
| [[ADF_2004-GUI REFERENCE]] [http://10.0.7.240/wiki/images/files/adf/adf.2004/ADFGUI_references.pdf] | | * [[Maestro]] |
|
| |
|
| [[ADF_2005-USERS GUIDE]] [http://10.0.7.240/wiki/images/files/adf/adf.2005/ADFUsersGuide.pdf] | | * [[MATHEMATICA]] |
|
| |
|
| [[ADF_2005-GUI TUTORIAL]] [http://10.0.7.240/wiki/files/images/adf/adf.2005/ADFGUI_tutorial.pdf] | | * [[NWCHEM]] |
|
| |
|
| [[ADF_2005-GUI REFERENCE]] [http://10.0.7.240/wiki/images/files/adf/adf.2005/ADFGUI_references.pdf] | | * [[ORCA]] |
|
| |
|
| [[ADF_2006]] [http://10.0.7.240/wiki/images/files/adf/adf.2006/ADFGUI_quickreference.pdf] [http://10.0.7.240/wiki/images/files/adf/adf.2006/ADFGUI_reference.pdf] [http://10.0.7.240/wiki/images/files/adf/adf.2006/Updates.pdf] [http://10.0.7.240/wiki/images/files/adf/adf.2006/ADFGUI_tutorial.pdf] [http://10.0.7.240/wiki/images/files/adf/adf.2006/ADFUsersGuide.pdf] [http://10.0.7.240/wiki/images/files/adf/adf.2006/References.pdf] | | * [[TeraChem]] |
|
| |
|
| | * [[TURBOMOLE]] |
|
| |
|
| ==DL POLY==
| | * [[VASP]] |
|
| |
|
| [[DL_POLY 2]] [http://10.0.7.240/wiki/images/files/dl_poly2/USRMAN2.pdf] | | * [[YE_OLDE_EXTENDED_HUCKEL_CODES]] for Windows |
|
| |
|
| [[DL_POLY_3]] [http://10.0.7.240/images/wiki/files/dl_poly3/www.cse.clrc.ac.uk/msi/software/DL_POLY/MANUALS/USRMAN3/MANUAL_USR.html]
| |
|
| |
|
| ==GROMACS==
| | List of useful software (with links for downloading) [http://psi-k.net/software/ Psi-k] |
| | |
| [[GROMACS]] [http://10.0.7.240/wiki/images/files/gromacs/manual-3.2.pdf]
| |
| | |
| ==NWCHEM==
| |
| | |
| [[NWCHEM]] [http://10.0.7.240/wiki/images/files/nwchem/userpdf.pdf]
| |
| | |
| ==JAGUAR==
| |
| | |
| [[JAGUAR_5]] [http://10.0.7.240/wiki/images/files/jaguar/j55_user_manual.pdf]
| |
| [[IMPACT_3]] [http://10.0.7.240/wiki/images/files/jaguar/fd30_user_manual.pdf]
| |
| | |
| ==MAESTRO==
| |
| | |
| [[MAESTRO]] [http://10.0.7.240/wiki/images/files/jaguar/mae65_user_manual.pdf]
| |
| | |
| ==MACROMODEL==
| |
| | |
| [[MACROMODEL_8]] [http://10.0.7.240/wiki/images/files/jaguar/mm85_user_manual.pdf]
| |
| | |
| ==VASP==
| |
| | |
| [[VASP]] [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html] [http://10.0.7.240/wiki/images/files/vasp/vasp.pdf]
| |
| | |
| ==DACAPO==
| |
| | |
| [[DACAPO]] [http://dcwww.camp.dtu.dk/campos/Dacapo/manual/manual.html][http://dcwww.camp.dtu.dk/campos/Dacapo/documentation.html]
| |
| | |
| ==VMD==
| |
| | |
| [[VMD]] [http://10.0.7.240/wiki/images/files/vmd/ug.pdf]
| |
| | |
| ==??==
| |
| | |
| [[G03]] [http://10.0.7.240/wiki/images/files/g03/www.gaussian.com]
| |
| | |
| [[G98]] [http://10.0.7.240/wiki/images/files/g98/index.htm]
| |
| | |
| | |
| ******
| |
| | |
| Erik is in charge of updating the ADF section
| |
| | |
| Ata is in charge of updating the NWChem&XChem edit sections
| |
| | |
| Eva is in charge of updating Gromacs&Macromodel
| |
| | |
| Pere is in charge of updating the DLPoly, ADFView&VMD sections
| |
| | |
| Christophe is in charge of updating the Jaguar section
| |
| | |
| Alfons is in charge of updating the Macromodel, Maestro & Gausview sections
| |
| | |
| Mónica is in charge of updating the Crysden section
| |
| | |
| Jaime is in charge of updating the P4H section
| |
| | |
| Steven is in charge of updating the Ecce section
| |
| | |
| Gemma is in charge of updating the Molden section
| |