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Position Restraints

Position restraints can be defined in a file that looks like this:

203
20 23.4 53.4 1.34 1.00
54 38.2 99.3 5.64 1.00
220 19.1 33.4 8.44 1.00
[...]

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

column 1: atomid 1
column 2: x-coordinate
column 3: y-coordinate
column 4: z-coordinate
column 5: weight of restraint. A factor that is multplied to posre_strength