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cluster average over multiple temperatures
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
readrtns.F
diff --git
a/source/cluster/wham/src-M/readrtns.F
b/source/cluster/wham/src-M/readrtns.F
index
05d6f22
..
5a42f4b
100644
(file)
--- a/
source/cluster/wham/src-M/readrtns.F
+++ b/
source/cluster/wham/src-M/readrtns.F
@@
-110,7
+110,9
@@
C long axis of side chain
lside = index(controlcard,"SIDE").gt.0
efree = index(controlcard,"EFREE").gt.0
call readi(controlcard,'NTEMP',nT,1)
lside = index(controlcard,"SIDE").gt.0
efree = index(controlcard,"EFREE").gt.0
call readi(controlcard,'NTEMP',nT,1)
- write (iout,*) "nT",nT
+ cumul_prob=nt.lt.0
+ nT=iabs(nT)
+ write (iout,*) "nT",nT," cumul_prob",cumul_prob
call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
write (iout,*) "nT",nT
write (iout,*) 'beta_h',(beta_h(i),i=1,nT)
call multreada(controlcard,'TEMPER',beta_h,nT,300.0d0)
write (iout,*) "nT",nT
write (iout,*) 'beta_h',(beta_h(i),i=1,nT)