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Fixed the addition of dummy chain ends to structures read from UNRES PDB files
[unres.git]
/
source
/
unres
/
src_MD-M
/
refsys.f
diff --git
a/source/unres/src_MD-M/refsys.f
b/source/unres/src_MD-M/refsys.f
index
ec620df
..
86b0524
100644
(file)
--- a/
source/unres/src_MD-M/refsys.f
+++ b/
source/unres/src_MD-M/refsys.f
@@
-9,10
+9,11
@@
c form a linear fragment. Returns vectors e1, e2, and e3.
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
logical fail
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
logical fail
+ double precision e1(3),e2(3),e3(3)
+ double precision u(3),z(3)
include 'COMMON.IOUNITS'
include 'COMMON.CHAIN'
include 'COMMON.IOUNITS'
include 'COMMON.CHAIN'
- include 'COMMON.REFSYS'
- double precision coinc/1.0D-4/,align /1.0D-7/
+ double precision coinc/1.0D-13/,align /1.0D-13/
fail=.false.
s1=0.0
s2=0.0
fail=.false.
s1=0.0
s2=0.0