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amber-software [2015/11/23 08:04] – [Usage] joguyaamber-software [2015/11/23 08:52] (current) – joguya
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-====== Amber Suite ====== +====== Amber Software Suite ====== 
-Amber suite consists of Amber & Amber Tools. AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.+Amber Software suite consists of Amber & Amber Tools. AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.
  
 ===== Information ===== ===== Information =====
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 See which versions of amber & ambertools are available: See which versions of amber & ambertools are available:
 <code>$ module avail amber <code>$ module avail amber
-$ module avail ambertools 
 </code> </code>
  
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 $ module load python/2.7.8 openmpi/1.8.2 $ module load python/2.7.8 openmpi/1.8.2
 $ export AMBERHOME=`pwd` $ export AMBERHOME=`pwd`
-$ ./configure -mpi gnu+$ ./configure gnu
 $ DO_PARALLEL='mpirun -np 3' make test $ DO_PARALLEL='mpirun -np 3' make test
 $ make -j 4 install $ make -j 4 install
 $ cp -r . /export/apps/amber/12/ $ cp -r . /export/apps/amber/12/
 +$ sudo chown -R root:root /export/apps/amber/12
 </code> </code>
amber-software.1448265884.txt.gz · Last modified: 2015/11/23 08:04 by joguya