[gmx-users] problem in g_order

[Bing Bing]

Dear all,
I had created 3-21 group of sn1 chain for order analysis. I have issued:-

make_ndx_d -f md_0_1.tpr -o sn1.dx

> a C15

Found 128 atoms with name C15

  3 C15                 :   128 atoms

> a C16

Found 0 atoms with name C16
Group is empty

> a C17

Found 128 atoms with name C17

  4 C17                 :   128 atoms

> a C18

Found 128 atoms with name C18

  5 C18                 :   128 atoms

> a C19

Found 128 atoms with name C19

  6 C19                 :   128 atoms

> a C20

Found 128 atoms with name C20

  7 C20                 :   128 atoms

> a C21

Found 128 atoms with name C21

  8 C21                 :   128 atoms

> a C22

Found 128 atoms with name C22

  9 C22                 :   128 atoms

> a C23

Found 128 atoms with name C23

 10 C23                 :   128 atoms

> a C24

Found 128 atoms with name C24

 11 C24                 :   128 atoms

> a C25

Found 128 atoms with name C25

 12 C25                 :   128 atoms

> a C26

Found 128 atoms with name C26

 13 C26                 :   128 atoms

> a C27

Found 128 atoms with name C27

 14 C27                 :   128 atoms

> a C28

Found 128 atoms with name C28

 15 C28                 :   128 atoms

> a C29

Found 128 atoms with name C29

 16 C29                 :   128 atoms

> a C30

Found 128 atoms with name C30

 17 C30                 :   128 atoms

> a C30

Found 128 atoms with name C30

 18 C30                 :   128 atoms

> a C31

Found 128 atoms with name C31

 19 C31                 :   128 atoms

> a CA1

Found 128 atoms with name CA1

 20 CA1                 :   128 atoms

> a CA2

Found 128 atoms with name CA2

 21 CA2                 :   128 atoms

>del 0-2

Removed group 0 'System'
Removed group 1 'POPC'
Removed group 2 'SOL'

Subsequently, i did this:-

g_order_d -s md_0_1.tpr -f md_0_1.xtc -n sn1.ndx -d z -od deuter_sn1.xvg

but, i got fatal error:-

Taking z axis as normal to the membrane
Reading file md_0_1.tpr, VERSION 3.3.2 (double precision)
Using following groups:
Groupname: System First atomname: C1 First atomnr 0
Groupname: POPC First atomname: C1 First atomnr 0
Groupname: SOL First atomname: OW First atomnr 6656

Reading frame       0 time    0.000   Number of elements in first group:
14036

-------------------------------------------------------
Program g_order_d, VERSION 3.3.2
Source code file: gmx_order.c, line: 360

Fatal error:
grp 1 does not have same number of elements as grp 1

i have deleted the group 0-2, but why is it it still read the group 0 which
the "system" that consist of 14036 atoms?

i would be grateful of anyone can advice on this.

Thanks in advance.

Regards,
bing
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