On Mon, 26 Feb 2001, Mark Forster wrote:
>Dear Amber Users
>
>I have been trying to create the prmcrd/prmtop files
>for an NAD molecule in AMBER6. To so this I have a PDB
>file with the coordinates, then I have created a leap.in
>file to set the charges and atom types for each atom.
>
>This seems to work well for all atoms except one.
>When I try the to set the type for a SP2 nitrogen,
>which should be type N* in the Cornell et al. 1995
>force field, the leap.log file shows the following error:
>
>>> set test.1.N12 type N*
>set: Improper number of arguments!
>usage: set <container> <parameter> <object>
> or: set default <parameter> <value>
Try
set test.1.N12 type "N*"
this works for me.
>It seems to be using the N* as a wildcard. Is anyone
>aware of a workaround that allows the N* type to
>be set in a leap.in file ?
>
>Mark F
>
>I can send the relevant PDB and leap.in file if anyone
>is sufficiently interested.
>
>--
>
> Dr Mark J Forster Ph.D.
> Principal Scientist
> Informatics Laboratory
> National Institute for Biological Standards and Control
> Blanche Lane, South Mimms,
> Hertfordshire EN6 3QG, United Kingdom.
>
> Tel +44 (0)1707 654753
> FAX +44 (0)1707 646730
> E-mail mforster_at_nibsc.ac.uk
>
>
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Received on Mon Feb 26 2001 - 05:07:26 PST
