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Distance Restraints

Generic distance restraints can be defined in an extra file that looks like this:

2404
50839 50851 1.61 1.00 1.00
1901 4084 2.814 1.00 1.00
2095 3092 2.877 1.00 1.00
3010 2180 2.887 1.00 1.00
3440 3733 2.768 1.00 1.00
3757 3416 2.744 1.00 1.00
4561 15526 2.638 1.00 1.00
5702 5511 2.736 1.00 1.00
[...]

The first line contains the total number of restraints in the file.

column 1: atomid 1
column 2: atomid 2
column 3: distance in Å
column 4: weight of restraint. A factor that is multplied to expd_strength
column 5: does not yet have any meaning (but needs to be present).