About the Source code.

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Mon Dec 26 2005 - 21:40:56 CST

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 Dear all,
 
 I am currently trying to look into the source code package /NAMD_2.6b1_Source , to find the part that calculates the potential energies of the system.
 
 Would anybody who knows where it is give me a hint where to find it? From the files I looked into, I guess that most probably the energetics are calculated by the programs in /NAMD_2.6b1_Source/src/ directory, such as ComputeEField.C and other programs starting with Compute**. But I am still not sure if I am right.
 
 
 I now list the directories of namd source code as follows:
 
 /NAMD_2.6b1_Source/lib/abf
                                  /plugins/include
                                            /molfile_plugin/src
                                  /src
                                  /arch
                                  /dpme2
                                  /psfgen
                                  /ug
                                  /dpmta-2.6/mpole
                                                 /src
                                  /charm-5.9.tar
 
        Thanks for all your time.
 
 Boyang.
 
                             
 

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