Hi,
On Tue, 8 Jun 2004, Tomas Kubar wrote:
> When you enter the command
>
> frcmod.bw = loadamberparams frcmod.bw
>
> for the 1st time, the variable "frcmod.bw" will be created.
>
> When you enter this command once more, xleap considers the second
> occurence of "frcmod.bw" to be of type ParameterSet (because it has
> already been created) and not of type String, which it has been
> expecting. This is the meaning of the error message that Carsten received.
That analysis is correct. To force the argument to be of type string
use quotes:
frcmod.bw = loadamberparams "frcmod.bw"
> So, generally you should use names of variables that differ from
> filenames. On the other hand, you can use characters '.' in your
> variable names without restriction.
That is not correct. The manual indicates that dot should not
be used in a variable name, see p31 of the amber8 manual.
For example, compare these command sequences:
z=ALA
desc z.1
versus
z.z=ALA
desc z.z.1
The grammar could be made more robust, but this is low priority.
Scott
Scott Brozell, Ph.D. | e-mail: sbrozell.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-8754
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA |
http://www.scripps.edu/~sbrozell
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Received on Fri Jun 11 2004 - 05:53:00 PDT
