> I know I've posted again but got no help. I thought I would
> try again. In any version of the leap program I'm unable to
> set the atom types on a unit. For example, I'm using the
> GLYCAM06 parameter sets. If I was to make a sequence like
> "x = sequence { ROH 0GB }", I cannot change the head and
> tail atoms via "set x head x.2.O2" or "set x tail x.2.O2"
> for example. Any ideas?
You are trying to set head on the 2nd residue, where the head
would already be joined to the tail of the first? Why? Head and
tail are normally set up on individual residues not bonded to
others.
It always helps to give your command *and* the response verbatim.
Sometimes the responses are useful for figuring out what went
wrong.
Doing a 'desc x' might help figure things out.
Bill
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Received on Tue May 25 2010 - 11:00:05 PDT
