VMD-L Mailing List

From: Pawel Kedzierski (pawel.kedzierski_at_pwr.edu.pl)
Date: Tue Feb 03 2015 - 05:02:37 CST

W dniu 03.02.2015 o 11:07, Viswanath Pasumarthi pisze:
>> Dear Viswanath,
>> W dniu 03.02.2015 o 08:28, Viswanath Pasumarthi pisze:
>>> 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'.
>> This is just a wild guess inspired by the info below that you run it on
>> Windows, because my students had similar problems.
>> NAMD2 for Windows does not have an installer and is distributed as a zip
>> file. You need to extract everything from this zip file, not just
>> namd2.exe - otherwise the program can't load libraries it is linked with
>> and dies.
>> HTH,
>> Pawel
> No, all files have been extracted from the zip file, and the library files
> are available in the same directory.
Well, there is high chance that the namd input and output files are left
after the crash:

>
>> "exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
so you may analyze the something-temp.log to see what namd says about
the reason of the crash.
If it does not help, you may post the input file (something-temp.namd)
and the messages from log - but rather on the namd-l discussion list and
ask for help there.
Pawel