VMD-L Mailing List
From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Tue Sep 03 2013 - 04:44:55 CDT
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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: ` }'
That line 21 is indicated below with an arrow --->
set fit_selection_text "backbone"
if {! [info exists fit_pdb_file] } {set fit_pdb_file $initial_pdb_file}
if {! [array exists replica_data]} {
---> if {[molinfo num] > 0} {
mol delete all
}
for {set replica_id 0} {$replica_id < $num_replicas} {incr replica_id} {
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
- Next message: Dawid das: "Increasing number of digits"
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- Next in thread: John Stone: "Re: Error with show_replicas.vmd"
- Reply: John Stone: "Re: Error with show_replicas.vmd"
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