[gmx-users] distance restraints

Samantha Kaye samantha at biop.ox.ac.uk
Tue Apr 13 09:51:01 CEST 2004


I'm trying to gently pull two atoms of a protein to within a certain
distance of each other. I believe I can do this using distance restraints
but:

1)       Does the [distance_restraints] bit go in the protein.itp?

2)       How do I calculate the "low" "up1" and "up2" values?



Thanks in advance,

Sam

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