Skip to main content
. Author manuscript; available in PMC: 2016 Jan 1.
Published in final edited form as: Methods Mol Biol. 2015;1215:253–287. doi: 10.1007/978-1-4939-1465-4_12
cMD heating of the system with restraints on protein and lipid residues
  &cntrl
   imin = 0, irest = 0, ntx = 1,
   ntb = 1,
   cut = 12.0,
   ntr = 1,
   ntc = 2, ntf = 2,
   tempi = 0.0, temp0 = 310.0,
   ntt = 3, gamma_ln = 1.0,
   nstlim = 20000, dt = 0.002
   ntpr = 2000, ntwx = 2000, ntwr = 2000
  /
Keep protein and lipids fixed with weak restraints
10.0
RES 1 636
END
END