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revision 1.5 by jmc, Mon Oct 18 16:01:13 2004 UTC | revision 1.6 by stephd, Thu Oct 13 16:25:12 2005 UTC | |
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# | Line 70 C Ligand,FeL,Fe calculation | Line 70 C Ligand,FeL,Fe calculation |
70 | ||
71 | FeL = ligand_tot-lig | FeL = ligand_tot-lig |
72 | freefe(i,j,k,bi,bj) = fe (i,j,k,bi,bj)-FeL | freefe(i,j,k,bi,bj) = fe (i,j,k,bi,bj)-FeL |
73 | #ifdef MINFE | |
74 | freefe(i,j,k,bi,bj) = min(freefe(i,j,k,bi,bj),freefemax) | |
75 | fe(i,j,k,bi,bj) = FeL+freefe(i,j,k,bi,bj) | |
76 | #endif | |
77 | END IF | END IF |
78 | ENDDO | ENDDO |
79 | ENDDO | ENDDO |
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