AMBER Archive (2000)
Subject: Re: Crosslink in Leap
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed May 24 2000 - 00:28:37 CDT
I think you can do it by declaring a connect2 (or connect3 if sulfur
is present) - see 'help set'. Don't forget to change the atom types -
it might be easier to clone the residues involved, especially if you
will be building often and are comfortable w/ new unique names. Finally,
you may want to think about charge considerations.
Hello: I'm trying to crosslink two residues with Leap. Back in the olden
days I used the crosslink function in link to connect two residues at
positions NOT AT EITHER END OR AT SULFUR. With Leap it looks like you
only have the options to make a crosslink at ends of residues or at
sulfur. Is this true?