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

Jheng Wei Li lijhengwei at gmail.com
Wed Nov 27 04:34:15 CET 2013


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> 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>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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