VMD-L Mailing List

From: Jeremy Lucid (jerlucid_at_gmail.com)
Date: Wed Dec 19 2012 - 06:59:37 CST

With respect to writing a tcl script to read an Gromacx index file,
I would recommend the following reference

 http://sites.google.com/site/akohlmey/redirect/cpmd-vmd.pdf

which explains the essence of dynamic selection. (sections 6.1 and 6.3 are
most valuable)

Jer

On Wed, Dec 19, 2012 at 12:04 PM, <poker_at_physics.usyd.edu.au> wrote:

> As Axel said, no. Shortest methods:
> - write a script in tcl to read in the file and convert them to an
> atom-selection text, or
> - a shell-script to convert to custom macros.
>
>
> Quoting Ignacio Fernández Galván <jellby_at_yahoo.com>:
>
> Hi all,
>>
>> Is there any (simple) way of reading a Gromacs index (.ndx) file in VMD?
>> An index file simply contains a list of index numbers (1-based) for several
>> custom selections, so it would be pretty simple to convert them to VMD
>> syntax.
>>
>> Ignacio
>>
>>
>>
>
>
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