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wham is prining energies; all "good" changes seems to be revoked improve in rmsd...
[unres.git]
/
source
/
unres
/
src_MD-M
/
readrtns_CSA.F
diff --git
a/source/unres/src_MD-M/readrtns_CSA.F
b/source/unres/src_MD-M/readrtns_CSA.F
index
9f72992
..
c691135
100644
(file)
--- a/
source/unres/src_MD-M/readrtns_CSA.F
+++ b/
source/unres/src_MD-M/readrtns_CSA.F
@@
-179,6
+179,7
@@
C if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then
else
icheckgrad=3
endif
+ call reada(controlcard,'DELTA',aincr,1.0d-7)
elseif (index(controlcard,'THREAD').gt.0) then
modecalc=2
call readi(controlcard,'THREAD',nthread,0)