From: Marc Charendoff (mcharend_at_sbcglobal.net)
Date: Fri Mar 11 2011 - 10:43:15 CST
Hello,
Sorry for bugging again, but I'm trying to better describe an issue with
ACE capping an N-terminal proline. When I use AutoPSF I do the following :
Step 1: identify the input and output file basenames and let program use the
default topology files
Step 2: Check Protein, and allow the program to Guess and split chains (I have
only a small eight amino acid peptide)
Step 3: Observe the Chains identified: P1 8 1- 65 PROP
CTER Prot
Step 4: Add patches ACE P1:1 and CT2 P1:8 (as I wish to cap my
terminal peptides)
When I hit the apply patches and finish PSF/PDBs though, I get the following
error
can't read "logfileout": no such variable
can't read "logfileout": no such variable
while executing
"puts $logfileout "Applying patch: [lindex $patch 0] [lindex $patch 1]:[lindex
$patch 2]""
(procedure "::autopsf::makepatches_gui" line 15)
invoked from within
"::autopsf::makepatches_gui"
invoked from within
".autopsf.patches.finish invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 23)
invoked from within
"tk::ButtonUp .autopsf.patches.finish"
(command bound to event)
Guidance appreciated. Thanks, Marc
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:44 CST