dccart=(index(controlcard,'CART').gt.0)
overlapsc=(index(controlcard,'OVERLAP').gt.0)
overlapsc=.not.overlapsc
- searchsc=(index(controlcard,'NOSEARCHSC').gt.0)
- searchsc=.not.searchsc
+ searchsc=(index(controlcard,'SEARCHSC').gt.0)
sideadd=(index(controlcard,'SIDEADD').gt.0)
energy_dec=(index(controlcard,'ENERGY_DEC').gt.0)
outpdb=(index(controlcard,'PDBOUT').gt.0)
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
-c call gen_side(iti,theta(i+1),alph(i),omeg(i),fail)
+ call gen_side(iti,theta(i+1),alph(i),omeg(i),fail)
nsi=nsi+1
enddo
if(fail) write(iout,*)'Adding sidechain failed for res ',
#endif
do itrial=1,100
itmp=1
-c call gen_rand_conf(itmp,*30)
+ call gen_rand_conf(itmp,*30)
goto 40
30 write (iout,*) 'Failed to generate random conformation',
& ', itrial=',itrial
#else
do itrial=1,100
itmp=1
-c call gen_rand_conf(itmp,*31)
+ call gen_rand_conf(itmp,*31)
goto 40
31 write (iout,*) 'Failed to generate random conformation',
& ', itrial=',itrial