VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Thu Oct 20 2016 - 11:54:10 CDT

Just to follow up on this, I have patched the ffTK source code to fix this error for all versions newer than 1.9.3b3.

Thans for the bug report!

Regards,
Christopher Mayne



On Oct 11, 2016, at 10:42 PM, david kastner <davidwkastner_at_gmail.com<mailto:davidwkastner_at_gmail.com>> wrote:

Christopher Mayne,
Thank you for getting back so quickly! Moving the gaussian log files to a directory without a space in the name worked perfectly. Thank you for taking the time to interpret the error message for me.

Sincerely,
David Kastner

On Tue, Oct 11, 2016 at 7:51 AM, Mayne, Christopher G <cmayne2_at_illinois.edu<mailto:cmayne2_at_illinois.edu>> wrote:
David,

I believe that this is due to the space in your path, specifically the "Google Drive” directory. I will dig into the code and add the appropriate protection for such file paths. In the meantime, however, the easiest work around is if you can, at least temporarily, move these files a directory that does not contain a space in the path.

Regards,
Christopher Mayne



On Oct 10, 2016, at 10:52 PM, david kastner <davidwkastner_at_gmail.com<mailto:davidwkastner_at_gmail.com>> wrote:

ffTK users,
I successfully ran Dihedral Scan Inputs for ffTK Scan Torsions section on Gaussian and all jobs ended with a Normal Termination. However, when I try to use to Torsion Explorer to analyze the results I get the error message copied below. This appears when I "add" the dihedral scan log files and then try to "load" them. Any ideas would be very appreciated.

wrong # args: should be "::ForceFieldToolKit::GenDihScan::TorExplor::readLog log"
wrong # args: should be "::ForceFieldToolKit::GenDihScan::TorExplor::readLog log"
    while executing
"::ForceFieldToolKit::GenDihScan::TorExplor::readLog C:/Users/david/Google Drive/Castle Lab/Beta-Hairpin Project/Conformers/YES/DHV_Awater/Param/5-dihO..."
    ("eval" body line 1)
    invoked from within
"eval ::ForceFieldToolKit::GenDihScan::TorExplor::readLog $log"
    (procedure "::ForceFieldToolKit::GenDihScan::TorExplor::setup" line 23)
    invoked from within
"::ForceFieldToolKit::GenDihScan::TorExplor::setup $loglist"
    invoked from within
".torexplor.hlf.inp.logbuttons.load invoke "
    invoked from within
".torexplor.hlf.inp.logbuttons.load instate {pressed !disabled} { .torexplor.hlf.inp.logbuttons.load state !pressed; .torexplor.hlf.inp.logbuttons.load..."
    (command bound to event)

Sincerely,
David Kastner