VMD-L Mailing List

From: daniel aguayo (bioquimico_at_gmail.com)
Date: Tue Oct 06 2009 - 13:16:43 CDT

I know a group working on packmol wrapper

http://code.google.com/p/molecv1/

On Tue, Oct 6, 2009 at 7:16 AM, Leandro Martínez <
leandromartinez98_at_gmail.com> wrote:

>
> Hi John,
>
> Yes, I thought about it many times, I just didn't have the time
> to do it. I also interchanged some e-mails with Axel Kohlmeyer
> about this as well, he suggested that it may be interesting
> to cuda-accelerate the package so that the box building could
> be done on-the-flight, but this would be a next step. Whenever
> I got sime time I will certainly try to do the VMD plugin.
>
> Best regards,
> Leandro.
>
>
>
>
>
> On Mon, Oct 5, 2009 at 10:54 PM, John Stone <johns_at_ks.uiuc.edu> wrote:
>
>>
>> Leandro,
>> I read your Packmol paper several months ago and found it rather
>> interesting. Have you guys ever thought about wrapping it with a
>> VMD plugin?
>>
>> Cheers,
>> John Stone
>> vmd_at_ks.uiuc.edu
>>
>> On Mon, Oct 05, 2009 at 09:24:44PM -0300, Leandro Martínez wrote:
>> > Hello Nielsh,
>> >
>> > You may want to try the Packmol package:
>> >
>> > http://www.ime.unicamp.br/~martinez/packmol>
>> >
>> > Regards,
>> > Leandro.
>> >
>> > On Mon, Oct 5, 2009 at 8:55 PM, Nilesh Ingle <nileshingle_at_gmail.com>
>> > wrote:
>> >
>> > Hello Everybody,
>> > I am trying to learn VMD for my project. And I need help with the
>> > following,
>> > How to create a monolayer (500Ao by 500Ao :: x by y, length and
>> width)
>> > using a couple of lysine (say) molecule. The thicknes of the layer
>> would
>> > be the thickness imparted by the lysine molecule.
>> > I appreciate your time and kind attention. Thank You.
>> > Best Regards,
>> > Nilesh.
>>
>> --
>> NIH Resource for Macromolecular Modeling and Bioinformatics
>> Beckman Institute for Advanced Science and Technology
>> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
>> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
>> WWW: http://www.ks.uiuc.edu/~johns/ <http://www.ks.uiuc.edu/%7Ejohns/>
>> Fax: 217-244-6078
>>
>
> 

-- 
saludos desde el fin del mundo