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- added input files for 2 peptides (1LE1, 1LY2) runs on matrix
[unres.git]
/
source
/
ga
/
GA.f
diff --git
a/source/ga/GA.f
b/source/ga/GA.f
index
8e2225d
..
13af8fe
100644
(file)
--- a/
source/ga/GA.f
+++ b/
source/ga/GA.f
@@
-229,7
+229,7
@@
c --- debug begin ---
c --- debug end ---
call WriteBank(bank)
c --- debug end ---
call WriteBank(bank)
- csacutoff=csacutoff-(cicutoff/maxgen)
+ csacutoff=csacutoff-(generation*cicutoff/maxgen)
c csacutoff=cicutoff*(0.8**(iter-1))
write(tmptext,'(F7.5)') csacutoff
c csacutoff=cicutoff*(0.8**(iter-1))
write(tmptext,'(F7.5)') csacutoff
@@
-462,7
+462,7
@@
c ======================================================================
c GetNBest subroutine
c ======================================================================
c Fills up the bank population up to banksize with individuals from
c GetNBest subroutine
c ======================================================================
c Fills up the bank population up to banksize with individuals from
-c inputpop heving the best(lowest) score
+c inputpop having the best(lowest) score
c ----------------------------------------------------------------------
subroutine GetNBest(inputpop,bank,banksize)
c ----------------------------------------------------------------------
subroutine GetNBest(inputpop,bank,banksize)
@@
-475,7
+475,7
@@
c ----------------------------------------------------------------------
last=0.0
idx=1
do j=1,banksize
last=0.0
idx=1
do j=1,banksize
- best=100000000000000000.0
+ best=huge(0.0d0)
do i=1,banksize*BANK_MULTIPLIER
if ((inputpop(i,20).lt.best).and.(inputpop(i,20).gt.last)) then
best=inputpop(i,20)
do i=1,banksize*BANK_MULTIPLIER
if ((inputpop(i,20).lt.best).and.(inputpop(i,20).gt.last)) then
best=inputpop(i,20)
@@
-1521,6
+1521,8
@@
c ----------------------------------------------------------------------
endif
end do
if (pop(i,20).eq.0) then
endif
end do
if (pop(i,20).eq.0) then
+c Setting FFV to a realy big valiue or otherwise CalcFittness will have problems
+ pop(i,20)=huge(0.0d0)
call write2log("ERROR while reading FFV from "//filename)
endif
close(izenergy)
call write2log("ERROR while reading FFV from "//filename)
endif
close(izenergy)