[gmx-users] how to create an index file for g_order?
Hanning chen
chenhanning at hotmail.com
Sat May 1 07:16:01 CEST 2004
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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