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Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git]
/
source
/
unres
/
src_MD-M
/
unres.F
diff --git
a/source/unres/src_MD-M/unres.F
b/source/unres/src_MD-M/unres.F
index
2df2658
..
fab67a1
100644
(file)
--- a/
source/unres/src_MD-M/unres.F
+++ b/
source/unres/src_MD-M/unres.F
@@
-408,7
+408,7
@@
c---------------------------------------------------------------------------
include 'COMMON.SBRIDGE'
double precision varia(maxvar)
dimension ind(6)
include 'COMMON.SBRIDGE'
double precision varia(maxvar)
dimension ind(6)
- double precision energy(0:max_ene)
+ double precision energy(0:n_ene)
logical eof
eof=.false.
#ifdef MPI
logical eof
eof=.false.
#ifdef MPI
@@
-703,7
+703,7
@@
c---------------------------------------------------------------------------
include 'COMMON.MD'
include 'COMMON.SBRIDGE'
common /srutu/ icall
include 'COMMON.MD'
include 'COMMON.SBRIDGE'
common /srutu/ icall
- double precision energy(0:max_ene)
+ double precision energy(0:n_ene)
c do i=2,nres
c vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
c if (itype(i).ne.10)
c do i=2,nres
c vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
c if (itype(i).ne.10)
@@
-776,7
+776,7
@@
c---------------------------------------------------------------------------
include 'DIMENSIONS'
include 'COMMON.IOUNITS'
include 'COMMON.CONTROL'
include 'DIMENSIONS'
include 'COMMON.IOUNITS'
include 'COMMON.CONTROL'
- double precision energy(0:max_ene)
+ double precision energy(0:n_ene)
call chainbuild
call etotal(energy(0))
call enerprint(energy(0))
call chainbuild
call etotal(energy(0))
call enerprint(energy(0))