VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Wed Apr 17 2019 - 01:59:02 CDT

Strange... Note that the qwrap1.3 directory should be alongside a few dozen
other plugins. You can double check that you don't have another VMD
installation somewhere.

There is another way, you can type in the VMD console:
load <path/to/>qwrap.so

That should work just as well.

Best
Jerome

On Tue, Apr 16, 2019, 21:20 Angana Ray <angana88ray_at_gmail.com> wrote:

> Hi Jerome Henin,
>
> I could install the qwrap. Thank you.
>
> But I am not able to call it from VMD. The "package require qwrap" says
> qwrap not found. I see a folder qwrap (with two files) created in my VMD
> plugins directory. Is there a specific way to call a separate plugin.
>
> Thank you.
>
>
> regards
> Angana
>
>
>
> On Tue, Apr 16, 2019 at 12:57 AM Jérôme Hénin <jerome.henin_at_ibpc.fr>
> wrote:
>
>> Hi Angana,
>>
>> I'm CC'ing the VMD mailing list so this is archived for the use of future
>> generations.
>>
>> You just need to install the Tcl development package, usually called
>> something like tcl-devel.
>>
>> A cubic box will work perfectly.
>>
>> Best,
>> Jerome
>>
>>
>> On Mon, 15 Apr 2019 at 21:39, Angana Ray <angana88ray_at_gmail.com> wrote:
>>
>>> Dear Jerome Henin,
>>>
>>> I am planning to use your tool qwrap from wrapping/un-wrapping my
>>> trajectories. I am trying to install it locally but I see the following
>>> error message:
>>>
>>> g++ -fpic -O3 -I/usr/include/tcl8.6 -DVERSION=\"1.3\" -c -o qwrap.o
>>> qwrap.cpp
>>> qwrap.cpp:1:17: fatal error: tcl.h: No such file or directory
>>> compilation terminated.
>>> <builtin>: recipe for target 'qwrap.o' failed
>>> make: *** [qwrap.o] Error 1
>>>
>>> I would be obliged if you can help me with this.
>>>
>>> Also, I read that qwrap is slightly specific, so I am concerned if this
>>> will work for my system which is a cubic box.
>>>
>>> Thank you.
>>>
>>>
>>> regards
>>> Angana
>>>
>>> --
>>> Angana Ray
>>> Postdoctoral Scholar - Research Associate
>>> University of Southern California
>>> Mobile: +1-2132840728
>>>
>>
>
> --
> Angana Ray
> Postdoctoral Scholar - Research Associate
> University of Southern California
> Mobile: +1-2132840728
>