From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Sep 03 2013 - 10:57:26 CDT
Hi,
It appears that you sourced the VMD script in a bourne shell
rather than in VMD itself. Those commands are Tcl, and so you should
be running them in VMD, not in a bash shell...
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Tue, Sep 03, 2013 at 11:44:55AM +0200, Francesco Pietra wrote:
> Hi:
> On sourcing the namd2.9 script /lib/replica/show_replicas.vmd (to load
> NAMD replicas into VMD after having sourced the replica exchange conf
> file) the error arose:
>
> bash: /opt/namd_2.9/lib/replica/show_replicas.vmd: line 21: syntax error
> near unexpected token `}'
> bash: /opt/namd_2.9/lib/replica/show_replicas.vmd: line 21: `A }'
>
> That line 21 is indicated below with an arrow --->
>
> set fit_selection_text "backbone"
> if {! [info exists fit_pdb_file] } {set fit_pdb_file $initial_pdb_file}
>
> if {! [array exists replica_data]} {
> --->A if {[molinfo num] > 0} {
> A A A mol delete all
> A }
> A for {set replica_id 0} {$replica_id < $num_replicas} {incr replica_id}
> {
> A A A set molid [mol new $psf_file]
>
> I found no notice on the web and I can't see the error. Grateful for
> advice
> francesco pietra
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/
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