[gmx-users] fatal error in g_order

pragya chohan pragyachohan at hotmail.com
Sun Feb 3 16:33:44 CET 2008

I am trying to do the bilayer analysis and want to calculate order parameters using g_order. I made the index using make_ndx command and selected the carbons sai 1-16 of my first chain and 17-33 of the other in same index file as two separate group. When I am giving this index file to g_order I get the error:

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
Groupname: oleoyl First atomname: C1 First atomnr 1820
Groupname: palmitoyl First atomname: C1 First atomnr 832

Reading frame       0 time    0.000   Number of elements in first group: 14036
Program g_order, VERSION 3.3
Source code file: gmx_order.c, line: 160

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

Please help.

Tried the new MSN Messenger? It’s cool! Download now.

More information about the gromacs.org_gmx-users mailing list