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xdrf2pdb-m-mult time t_bath printout
[unres.git]
/
source
/
unres
/
src_MD
/
initialize_p.F
diff --git
a/source/unres/src_MD/initialize_p.F
b/source/unres/src_MD/initialize_p.F
index
53a90bf
..
2b88edf
100644
(file)
--- a/
source/unres/src_MD/initialize_p.F
+++ b/
source/unres/src_MD/initialize_p.F
@@
-1431,7
+1431,7
@@
cd & " lim_dih",lim_dih
link_start_homo=1
link_end_homo=lim_odl
idihconstr_start_homo=nnt+3
link_start_homo=1
link_end_homo=lim_odl
idihconstr_start_homo=nnt+3
- idihconstr_end_homo=lim_dih+3
+ idihconstr_end_homo=lim_dih+nnt-1+3
write (iout,*)
& ' lim_odl',lim_odl,' link_start=',link_start_homo,
& ' link_end',link_end_homo,' lim_dih',lim_dih,
write (iout,*)
& ' lim_odl',lim_odl,' link_start=',link_start_homo,
& ' link_end',link_end_homo,' lim_dih',lim_dih,