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

Jheng Wei Li lijhengwei at gmail.com
Wed Nov 27 04:28:53 CET 2013


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> 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
>
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