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revision 1.14 by stephd, Fri Apr 18 19:32:12 2008 UTC | revision 1.15 by stephd, Mon Jun 23 22:26:32 2008 UTC | |
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# | Line 76 C Ligand,FeL,Fe calculation | Line 76 C Ligand,FeL,Fe calculation |
76 | & )/(2. _d 0*ligand_stab) | & )/(2. _d 0*ligand_stab) |
77 | ||
78 | FeL = ligand_tot-lig | FeL = ligand_tot-lig |
79 | if (tmpfe.eq.0. _d 0) then | if (tmpfe.ne.0. _d 0) then |
80 | freefe(i,j,k,bi,bj) = tmpfe -FeL | freefe(i,j,k,bi,bj) = tmpfe -FeL |
81 | else | else |
82 | freefe(i,j,k,bi,bj) = 0. _d 0 | freefe(i,j,k,bi,bj) = 0. _d 0 |
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