AMBER -- Molecular mechanics and NMR structure refinement
AMBER homepage:
| http://amber.scripps.edu
|
Installed platforms:
| IRIX and IRIX MPI (mips4, r12000 optimizations; n32 object format)
Linux and Linux MPICH2 (i686, x86_64, ia64 architectures)
|
Versions and hosts: |
Version 9 is available on Silicon Graphics
workstations via the sbset command:
% sbset amber9
Linux workstations require additional environment settings:
% sbset amber9 intel9
Parallel runs may or may not require additional environment settings,
depending on the architecture you are using. Consult the
how to setup your CSB UNIX environment page
for detail about setting up for parallel AMBER9 runs. |
Path to distribution files: |
/sb/apps/amber9/
|
Path to executables: |
/sb/apps/amber9/IRIX646/exe
/sb/apps/amber9/i686/exe
/sb/apps/amber9/x86_64/exe
/sb/apps/amber9/ia64/exe
|
AMBER manuals: |
Local copy of documentation in PDF format:
/sb/apps/amber9/doc/amber9.pdf
Also see:
/sb/apps/amber9/examples
/sb/apps/amber9/test
|
Tutorials and Help: |
How to setup your CSB UNIX environment for AMBER9.
Official AMBER9 tutorials are at
/sb/apps/amber9/Amber9_Tutorials_CD
Also visit the
AMBER mailing list archive
|
Notes: |
The i686, x86_64 and ia64 (Altix) AMBER9 Linux executables were
compiled with the Intel Fortran and C compilers, version 9.1.
The i686 and x86_64 Linux MPI executables were built with the MPICH2 MPI2
implementation. The SGI mips and Altix/ia64 MPI executables were built
with SGI's own MPI implementation.
Contact
Jarrod Smith
for help with the above issues.
|
|