amber-software
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amber-software [2015/11/23 08:04] – created joguya | amber-software [2015/11/23 08:52] (current) – joguya | ||
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- | ====== Amber Suite ====== | + | ====== Amber Software |
- | 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, | + | Amber Software |
===== Information ===== | ===== Information ===== | ||
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See which versions of amber & ambertools are available: | See which versions of amber & ambertools are available: | ||
< | < | ||
- | $ module avail ambertools | ||
</ | </ | ||
- | Load amber suite—includes Amber 12 and Amber Tools 13: | + | Load amber suite—includes |
< | < | ||
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$ module load python/ | $ module load python/ | ||
$ export AMBERHOME=`pwd` | $ export AMBERHOME=`pwd` | ||
- | $ ./ | + | $ ./configure gnu |
$ DO_PARALLEL=' | $ DO_PARALLEL=' | ||
$ make -j 4 install | $ make -j 4 install | ||
$ cp -r . / | $ cp -r . / | ||
+ | $ sudo chown -R root:root / | ||
</ | </ |
amber-software.1448265849.txt.gz · Last modified: 2015/11/23 08:04 by joguya