[gmx-developers] How to utilize the index file in code? GROMACS 4.6.3

Anton Feenstra k.a.feenstra at vu.nl
Wed Nov 27 18:11:31 CET 2013


Dear JhengWei Li,

Could you explain to us what the final goal is you want to reach? Now 
you are only telling us *how* you want to do something. If we know the 
goal, it will be much easier for us to help you get there.

Groetjes,

Anton.

On 27/11/13 04:33, Jheng Wei Li wrote:
> Uhhh.. add something ...
> After all, I just need to divide the system into some subgroups,
> I just want to call it and I don't need to change it!
>
>
>
> On Wed, Nov 27, 2013 at 11:28 AM, Jheng Wei Li <lijhengwei at gmail.com
> <mailto:lijhengwei at gmail.com>> wrote:
>
>     Thank you, Mark.
>     Or could I find a way to recall the atomtype?
>     Will that be easier?
>
>
>     JhengWei Li
>     Institute of Atomic and Molecular Sciences,
>     Academia Sinica, Taipei 106, Taiwan
>
>
>     On Tue, Nov 26, 2013 at 9:44 PM, Jheng Wei Li <lijhengwei at gmail.com
>     <mailto:lijhengwei at gmail.com>> wrote:
>
>         Hello, all
>            I am passing an index file chopping atoms into several
>         subgroups, and
>         I want to utilize this information in minimize.c!
>         How do I recall index information in minimize.c?
>         Please give me some advice or which part of code should I take a
>         look to mimic its format!
>
>         JhengWei Li
>         Institute of Atomic and Molecular Sciences,
>         Academia Sinica, Taipei 106, Taiwan
>
>
>


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam   |
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|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
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