Dear Carsten,
I cannot recreate the problem you specify below in the order you show it.
However, if I do:
xleap -s
frcmod.bw = loadamberparams frcmod.bw
'This works fine'
But if I then issue the command again within the same xleap session:
frcmod.bw = loadamberparams frcmod.bw
Then I get the error as you describe below. The problem I believe is due to
the "." In your variable name. Leap I think is treating .bw as an element
within the object frcmod and so is getting confused. The solution is to
avoid using .'s in your variable names. E.g the following works fine:
xleap -s
"Welcome to LEaP!"
frcmodbw = loadamberparams frcmod.bw
"Loading parameters: ./frcmod.bw"
"Reading force field mod type file (frcmod)"
frcmodbw = loadamberparams frcmod.bw
"Loading parameters: ./frcmod.bw"
"Reading force field mod type file (frcmod)"
frcmodbw = loadamberparams frcmod.bw
"Loading parameters: ./frcmod.bw"
"Reading force field mod type file (frcmod)"
And you can repeat this as often as you want.
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of Carsten Detering
> Sent: 07 June 2004 16:15
> To: amber.scripps.edu
> Subject: AMBER: bug in leap?
>
> Hi all,
>
> I cannot expalin the following behaviour of Xleap. I type the
> exact same
> thing twice, and once it works, and the second time it doesnt,
> respectively the other way round. Here is what I did:
>
> > frcmod.bw = loadamberparams frcmod.bw
> loadAmberParams: Argument #1 is type ParameterSet must be of
> type: [string]
> usage: <variable> = loadAmberParams <filename>
> > frcmod.bw = loadamberparams frcmod.bw
> Loading parameters: ./frcmod.bw
> Reading force field mod type file (frcmod)
>
> I did not change the frcmod file in between.
> I am running Amber8.
>
> Does someone have a rational explanation for this, or do I miss
> something here?
>
> Thanks in advance.
>
> Carsten
>
>
> --
>
> Carsten Detering
> University of Washington
> Seattle, WA 98195
> Fon 206.543.5081
> Fax 206.685.8665
>
>
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Received on Tue Jun 08 2004 - 07:53:00 PDT
