hi,
can I use at the same type NMR restrains (nmropt=1) and restrained
atoms with ntr=1 ? I do not know how to place them in the input file
so that both are read.
This is what I had in my input file which did not work (did not read the
restains after the NMR restrains). thanks for any help, Marcela
&end
&wt type='REST', istep1=0, istep2=500000, value1=1.0, value2=1.0, &end
&wt type='END' &end
LISTOUT=POUT
DISANG=RST.f
now the bases
400
FIND
N9 * * *
C8 * * *
H8 * * *
N7 * * *
C5 * * *
C6 * * *
O6 * * *
SEARCH
RES 2 23
END
END
Received on Mon Dec 09 2002 - 12:33:31 PST
