VMD-L Mailing List

From: Daniel Möller (daniel.moeller3_at_uni-greifswald.de)
Date: Tue Feb 03 2015 - 06:21:10 CST

Hi,

I know some other issues with Win7 and other programs, but if you start VMD
as admin maybe it will work for you too.

Sincerely

Daniel Möller
-----Ursprüngliche Nachricht-----
Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Viswanath Pasumarthi
Gesendet: Dienstag, 3. Februar 2015 08:28
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: namd2.exe has stopped working - NAMDEnergy

Hi,

I have been trying to calculate nonbonded interaction energies using
NAMDEnergy plugin in VMD. On specifying the path to namd2.exe
(NAMD_2.9_Win32-multicore) when prompted for, after running the NAMDEnergy,
it results in an error message, 'namd2.exe has stopped working'. The
simulations were run on a linux cluster installed with
NAMD_2.9_Linux-x86_64-multicore version. I tried specifying both versions of
the setup files, but both gave the same error. What causes this error and
how to solve this issue?

'Application Error' Dialog:
This application has requested the Runtime to terminate it in an unusual
way.
Please contact the application's support team for more information.

This application has requested the Runtime to terminate it in an unusual
way.
Please contact the application's support team for more information.
    while executing
"exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
    (procedure "namdrun" line 56)
    invoked from within
"namdrun"
    (procedure "namdmain" line 76)
    invoked from within
"namdmain"
    (in namespace inscope "::namdEnergy" script line 19)
    invoked from within
"::namespace inscope ::namdEnergy {
      mol top $currentMol
      variable sel1
      variable sel2
      variable nsel
      set energy ""
      set..."
    invoked from within
".namdenergy.gobutton invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 24)
    invoked from within
"tk::ButtonUp .namdenergy.gobutton"
    (command bound to event)

OS: 64-bit Windows 8.1

Sincerely,
Viswanath.