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Rozgrzebany SCCOR dla wham-M
[unres.git]
/
source
/
wham
/
src-M
/
initialize_p.F
diff --git
a/source/wham/src-M/initialize_p.F
b/source/wham/src-M/initialize_p.F
index
175e7a4
..
615c3af
100644
(file)
--- a/
source/wham/src-M/initialize_p.F
+++ b/
source/wham/src-M/initialize_p.F
@@
-513,6
+513,9
@@
C Partition local interactions
call int_bounds(nct-nnt-2,iphi_start,iphi_end)
iphi_start=iphi_start+nnt+2
iphi_end=iphi_end+nnt+2
call int_bounds(nct-nnt-2,iphi_start,iphi_end)
iphi_start=iphi_start+nnt+2
iphi_end=iphi_end+nnt+2
+ call int_bounds(nres-3,itau_start,itau_end)
+ itau_start=itau_start+3
+ itau_end=itau_end+3
if (lprint) then
write (iout,*) 'Processor:',MyID,
& ' loc_start',loc_start,' loc_end',loc_end,
if (lprint) then
write (iout,*) 'Processor:',MyID,
& ' loc_start',loc_start,' loc_end',loc_end,
@@
-536,6
+539,8
@@
C Partition local interactions
ithet_end=nres
iphi_start=nnt+3
iphi_end=nct
ithet_end=nres
iphi_start=nnt+3
iphi_end=nct
+ itau_start=4
+ itau_end=nres
#endif
return
end
#endif
return
end