[gmx-users] how to create an index file for g_order?
Zhen.Qin at hec.utah.edu
Zhen.Qin at hec.utah.edu
Sat May 1 17:16:02 CEST 2004
I think the last is correct.
Only neighbouring atoms can be used in g_order. You can check the manual
for the definition of g_order. :-)
> Hi, all
> Can some one show me how to create an index file for command g_order?
> Say,
> I got two carbon tails each with five carbon atoms (atom 1, 2, 3, 4, 5 for
> tail 1, atom 11, 12, 13, 14, 15 for tail 2).
> What is the right format for the index file? Should I write it as
>
> [tails]
> 1 2 3 4 5 11 12 13 14 15
>
> or
>
> [tails]
> 1 11 2 12 3 13 4 14 5 15
>
> or
> [tail1]
> 1 2 3 4 5
> [tail2]
> 11 12 13 14 15
>
> Any help or suggestion will be hightly appreciated. Thank you.
>
> Hanning
>
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