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在LINUX下如何安装NAMD

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发表于 2008-12-25 11:16:00 | 显示全部楼层 |阅读模式
请问怎样在LINUX下安装NAMD?查了很久都找不到资料
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发表于 2008-12-25 15:29:00 | 显示全部楼层
Compiling and installing NAMD
Follow these steps in compiling NAMD:
1.
Make sure that PVM is installed correctly and that the libraries are present for the architecture you wish to compile NAMD. You should have the PVM_ROOT variable defined in your environment.
2.
Edit the files Make.config and Make.arch as needed. The Make.config file contains architecture independent information, such as path information and general compile flags and libraries. Very few changes should be necessary. The Make.arch file contains specific architecture targets and lets you indicate compilers and compile flags. You should use the name of the target in Make.arch as the name of the subdirectory under which all object files, library files, and executables for this build will be stored. If your particular architecture is not listed, you will need to add another target and define the listed variables. See the Make.config and Make.arch files under ``What should be changed?'' for more details.
3.
To make NAMD for some target architecture listed in Make.arch, type:
make target
If older object files exist from a previous build, you can first clean all of the binaries for a given target architecture by typing:
make clean "ARCH=target"
4.
The build should automatically install links to the namd and dpmta_slave binaries in the indicated PVM_BINDIR directory. If you wish to install links to a different target build into a given pvm_target directory, you can install NAMD manually by typing:
make install "ARCH=target " "PVM_ARCH=pvm_target"
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