VMD-L Mailing List

From: Angana Ray (angana88ray_at_gmail.com)
Date: Tue Apr 16 2019 - 14:20:04 CDT

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