All About NAMD Source Code

• Released Versions (choice of the wise)
  • Why bother? Precompiled binaries are available here!
  • Source code is included in the same list as the binaries.
  
  
• Problem Reports (using GNATS)
  • quick search
  • full interface
  • report a problem
  
  
• Browse Online (updated nightly using doxygen)
  • class hierarchy
  • class index
  • file list
  • class member list
  • file member list
  
  
• Recent Revisions (updated nightly using cvs2html)
  • by date
  • by file
  
  
• Bleeding-Edge (straight from CVS)
  
  1. Request and receive a username and password from us.
  2. Run or add the following to your login scripts (replace "username"):
     alias namdcvs 'cvs -d :pserver:username@www.ks.uiuc.edu:/Projects/namd2/cvsroot'
  3. namdcvs login (enter your password)
  4. In a directory that doesn't already contain a file or directory named namd2:
     namdcvs checkout namd2
  5. namdcvs logout

Other Stuff You'll Need

• C and C++ compilers (think performance).
• CVS to download Charm (see below).
• Cygwin if you're building on Windows.
• TCL to enable scripting features.
• FFTW to enable particle mesh Ewald (PME).

Building Charm and NAMD

Unpack source code and enter directory:
  tar xzf NAMD_2.4b1_Source.tar.gz
  cd NAMD_2.4b1_Source

Download and build Charm++/Converse library:
  setenv CVSROOT ":pserver:checkout@charm.cs.uiuc.edu:/cvsroot"
  cvs login   (PRESS RETURN WHEN ASKED FOR A PASSWORD)
  cvs co -D 2002-01-03 -P charm-5.4
  cd charm-5.4
  ./build charm++ net-linux
  cd ..

Edit various configuration files:
  vi Make.charm  (set CHARMBASE to .rootdir/charm-5.4 or full path to charm)
  vi arch/Linux-i686.tcl   (fix library version and path to Tcl files)
  vi arch/Linux-i686.fftw  (fix library name and path to files)

Set up build directory and compile:
  ./config tcl fftw Linux-i686-g++
  cd Linux-i686-g++ 
  make