VMD-L Mailing List

From: Ran Friedman (r.friedman_at_bioc.unizh.ch)
Date: Tue Feb 20 2007 - 11:24:32 CST

Hi,

I meant using the utility to_unix or anything similar:
http://www.bebits.com/app/3308

You can also use File -> New Molecule and in the "Determine file type"
select the last (convert from) and gamess. This will activate babel (I
think) and you'll get the last frame.

Hope it helped,
Ran.

Per Jr. Greisen wrote:
> Hi,
>
> >From my run I get the PUNCH file along with other files depending on my
> specifications. When you say convert - do you mean using openbabel?
>
> I have tried loading the file specifying the GAMESS format but it gives me
> an error. I will try to fix that - I think I need to add an extra plugin.
>
> Thanks in advance
>
> If you work in linux, you should first convert the file to a unix ascii
>
>> format. pc-gamess writes a windows file.
>> Alternatively, you can get the last coordinate by using load->convert
>> from GAMESS
>>
>> Ran.
>>
>> Per Jr. Greisen wrote:
>>
>>> Hi,
>>>
>>> Is it possible to visualize the output files from PC-GAMESS using VMD. I
>>> have been looking for some plugins but have not been able to find any.
>>>
>>> Thanks in advance
>>>
>>>
>>>
>>>
>
>
> 

-- 
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: r.friedman_at_bioc.unizh.ch
Skype: ran.friedman
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