AMBER Archive (2002)

Subject: NMR restrains

From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Mon Dec 09 2002 - 14:33:31 CST

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