AMBER Archive (2007)

Subject: AMBER: some input problem

From: Urszula Uciechowska (urszula.uciechowska_at_pharmazie.uni-halle.de)
Date: Sun Dec 09 2007 - 09:25:52 CST


Dear AMber useres,

I want to simulate my model-protein, I wrote this input file but I am getting error that my
inout is not correct.Can maybe someone help to find the mistake or should i change something?

initial minimisation
 &cntrl
  imin = 1,
  maxcyc = 500,
  ncyc = 250,
  ntb = 0,
  ntr = 1,
  ntpr = 10,
  igb = 2,
  cut = 12
 /
Restrain the protein backbone atoms
10.0
RES 1-255_at_CA,C,A
END
END

thank you in advance

Best Regards,
Urszula Uciechowska

MSc.PhD Student
Medicinal Chemistry Group
University of Halle-Wittenberg
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