Dear All
I am trying to different positional restraints on residues of protein as
below:-
Initial min of our structure
&cntrl
imin=1, maxcyc=100,
ntb = 1,
ntr = 1,
ntpr = 5,
cut = 12.0,
restraint_wt=25.0,
restraintmask=':1-492'
restraint_wt=20.0,
restraintmask=':493-502',
/
However; in output I observe only one of the positional restraint is being
picked up as shown below:-
Frozen or restrained atoms:
ibelly = 0, ntr = 1
restraint_wt = 20.00000
Can you please guide me how should I set the input for both of restraints
to work? Thanks in advance.
Regards
Sadaf
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Received on Fri Oct 08 2021 - 08:30:02 PDT
