Changeset c076b43 for init_energy.f


Ignore:
Timestamp:
09/24/08 15:27:03 (16 years ago)
Author:
sandipan <sandipan@…>
Branches:
master
Children:
4fd4338
Parents:
a52fb83
Message:

Updated version of Lund force field functions

The Lund force field functions were debugged. A new library file
lib.lun was added to describe the geometrical parameters of
protein molecules consistent with the force field. With this
library file defining the bond lengths and bond angles, energy
values calculated with SMMP with the Lund force field can be
directly compared with those calculated with PROFASI.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@17 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:
1 edited

Legend:

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  • init_energy.f

    ra52fb83 rc076b43  
    5454        endif
    5555
     56      endif
     57
     58      if (ientyp .eq. 2) then
     59        reslib=libdir(1:ll)//'lib.lun'
    5660      endif
    5761
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