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Merge branch 'adam' into devel
[unres.git]
/
source
/
unres
/
src_MD
/
kinetic_lesyng.f
diff --git
a/source/unres/src_MD/kinetic_lesyng.f
b/source/unres/src_MD/kinetic_lesyng.f
index
db959b3
..
8535f5d
100644
(file)
--- a/
source/unres/src_MD/kinetic_lesyng.f
+++ b/
source/unres/src_MD/kinetic_lesyng.f
@@
-44,7
+44,7
@@
c to the velocities of the first Calpha.
incr(j)=d_t(j,0)
enddo
do i=nnt,nct
incr(j)=d_t(j,0)
enddo
do i=nnt,nct
- iti=iabs(itype(i))
+ iti=itype(i)
if (itype(i).eq.10) then
do j=1,3
v(j)=incr(j)
if (itype(i).eq.10) then
do j=1,3
v(j)=incr(j)
@@
-81,7
+81,7
@@
c write(iout,*) 'KEr_p', KEr_p
c The rotational part of the side chain virtual bond
KEr_sc=0.0D0
do i=nnt,nct
c The rotational part of the side chain virtual bond
KEr_sc=0.0D0
do i=nnt,nct
- iti=iabs(itype(i))
+ iti=itype(i)
if (itype(i).ne.10) then
do j=1,3
incr(j)=d_t(j,nres+i)
if (itype(i).ne.10) then
do j=1,3
incr(j)=d_t(j,nres+i)