From: Ming-Tsung Lee (mtlee_at_rci.rutgers.edu)
Date: Mon Feb 03 2014 - 13:01:52 CST

Hi Olaf,

I am aware of that (I read one of your posts), and that's why post it on
the emailing list. Maybe someone else can help. Besides, I am not sure the
problem is really from your codes.

I don't how VMD is working with plugin. I saw a lot of plugin programs
(*.tcl) in the installation folder, and I am hoping they will be loaded
externally with the vmd executable. In this case you may send me your
codes, and I can try replacing the original one and see whether it will
work or not. If the plugin needs to be compiled as in the *.msi installer,
I probably can't help.

At least current users with problem can live by adding the box angles in
their trajectories.

Best Regards,
MT

Ming-Tsung Lee
Department of Chemical & Biochemical Engineering
Rutgers, The State University of New Jersey
98 Brett Road
Piscataway, NJ 08854
tel: 848-445-6953

On Mon, Feb 3, 2014 at 1:09 PM, Olaf Lenz <olenz_at_icp.uni-stuttgart.de>wrote:

> Hi!
>
> The trouble is that I do not have access to a Windows development system.
> With your message, I can have a look at the code again, but I am unable to
> compile or debug under Windows.
>
> Olaf
>
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
> Phone: +49.711.685.63607
> Am 03.02.2014 18:51 schrieb "Ming-Tsung Lee" <mtlee_at_rci.rutgers.edu>:
>
>> Hi Olaf,
>>
>> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/22262.html
>>
>> I think that I probably find the bug. In the VTF file generated by
>> DL_MESO (attached, not sure the situation of ESPresSo). In the first frame
>> of the trajectory, box dimensions are defined as follows
>>
>> timestep indexed
>> pbc 15.000000 15.000000 15.000000
>> 0 10.867398 12.150888 14.039090
>> 1 9.467130 10.474655 12.615115
>> 2 ...
>>
>> I have checked the default syntax of VTF. The box angles should be
>> optional.
>> https://github.com/olenz/vtfplugin/wiki/VTF-format
>>
>> I have played that around. It looks like that VMD is frozen while loading
>> the line pbc/unitcell, as long as there are no "90 90 90" assigned.
>> Nevertheless, the same VTF works perfectly well with the Linux version VMD.
>> Would you please check your plugins for both platforms? Probably something
>> is messed up in the Windows version. Thank you.
>>
>> For those who are using DL_MESO and want a quick solution for this,
>> simply modify the trajectory output by putting a "90 90 90" after your box
>> dimensions. It will work.
>>
>> Best,
>> MT
>>
>> P.S. I am using Windows 7 x64 enterprise, VMD 1.9.1. Trajectory is
>> generated from DL_MESO/DEMO/Polyelectrolyte/HISTORY, using
>> /DL_MESO/DPD/utility/trajectselected.f90
>>
>> Ming-Tsung Lee
>> Department of Chemical & Biochemical Engineering
>> Rutgers, The State University of New Jersey
>> 98 Brett Road
>> Piscataway, NJ 08854
>> tel: 848-445-6953
>>
>