[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
_____________ _______________________________________________________
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| _ _ ___,| 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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