On Wed, Nov 16, 2011, Crystal.CHIA-YU Ku wrote:
> Could you let me know how I can load a unit name MG? I have no idea to
> do that...
I think the original ions94.lib file has such a unit. But you should use the
commands in ions94.cmd as examples, experimenting until you understand what
is going on: how units are created and loaded into LEaP.
> However, when I use the original in the early beginning, xleap
> cannot use MG to recognize MG in my receptor-ligand file. Even if now
> I already changed Mg+ to MG back, xleap still could not work.
Please use the "list" command in tleap (before issuing the loadPdb command)
to make sure you have an unit named MG, and that it contains what you think
it should.
Then, if you get error messages when you issue the loadPdb command, read them
very carefully, and try to figure out how to understand what they are saying.
If you still can't see how to proceed, try to make a small sample pdf file
that illustrates the problem, and post it, along with the *exact* commands
you are using.
...good luck...dac
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Received on Wed Nov 16 2011 - 13:30:03 PST
