file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10.inp
"ala10 unblocked
-SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
+SEED=-1111333 MD ONE_LETTER rescale_mode=2
nstep=15000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0 &
reset_moment=1000 reset_vel=1000
WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 &
character*8 onethree,cfreq
character*8 ucase
external ucase
- logical oneletter
+ logical oneletter, iblnk
integer rescode
external rescode
10 continue
nres=i
i=0
-c do while (.not.iblnk(sequenc(i+1)(1:1)))
- do while (.not.(iblnk(sequenc(i+1)(1:1)) == 0) )
+ do while (.not.iblnk(sequenc(i+1)(1:1)))
+c do while (.not.(iblnk(sequenc(i+1)(1:1)) == 0) )
i=i+1
enddo
nres=i