1．安装第一步
(1)把AMBER9.TGZ文件拷贝到/usr/local/
#cp-rf /media/AMBER9/AMBER.TGZ /usr/local/
(2)把AMBER9解压到/usr/local/amber9
#tar-zxvf AMBER9.TGZ
2．打上bugfix.all补丁到http://amber.scripps.edu下载
(1)把bugfix.all拷贝到/usr/local/amber9目录下面
#cp-rf bugfix.all /usr/local/amber9
(2)#cd /usr/local/amber9
#patch-p0 -N -r patch-rejects < bugfix.all
3．安装INTEL编译器intel fortran和intel c++
http://www.intel.com/cd/software/products/asmo-na/eng/282048.htm
http://www.intel.com/cd/software/products/asmo-na/eng/compilers/clin/277618.htm
下载 l_cc_p_10.0.023_ia32.tar.gz 与 l_fc_p_10.0.023_ia32.tar.gz
解压文件并执行
#./install.sh ；按说明一步一步安装，默认安装在/opt/intel
安装libstdc++.so.5
#yum -y install compat-libstdc++-33
4．设置编译器环境
#vi/etc/profile
AMBERHOME=/usr/local/amber9
exportAMBERHOME
source/opt/intel/fc/10.0.023/bin/ifortvars.sh
source/opt/intel/cc/10.0.023/bin/iccvars.sh
保存并重启系统
5．进入AMBERHOME/src
#cd $AMBERHOME/src
#./configureifort_ia32
#makeserial
6．测试基本的AMBER
#cd$AMBERHOME/test
#maketest.serial
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