[AMBER] How to set multiple positional restraints during minimization

From: Sadaf Rani <sadafrani6.gmail.com>
Date: Fri, 8 Oct 2021 20:25:06 +0500

Dear All
I am trying to different positional restraints on residues of protein as
Initial min of our structure


imin=1, maxcyc=100,

  ntb = 1,

  ntr = 1,

  ntpr = 5,

  cut = 12.0,






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.
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Received on Fri Oct 08 2021 - 08:30:02 PDT
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