Dear all I 'd like to do NOE distance restraints; according to the chapter 4 of the manual; I should specify a section for [ distance_restraints] :
[ distance_restraints ] ; ai aj type index type’ low up1 up2 fac 10 16 1 0 1 0.0 0.3 0.4 1.0 10 28 1 1 1 0.0 0.3 0.4 1.0 10 46 1 1 1 0.0 0.3 0.4 1.0 16 22 1 2 1 0.0 0.3 0.4 2.5 16 34 1 3 1 0.0 0.5 0.6 1.0 ................................................................. althought I've studied the manual, it is still unclear to me, that how is the index column defined? what are the numbers (0,1,2,3) implying? what about the low, up1,up2, fac columns? Thank you in advance B.Mehrazma
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