I had made groups using make_ndx command and selected say "a C12|a C13....."
and named one group as palmitoyl and other group as oleoyl but when I select
these groups during the execution of commamd get the error:
> > 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
Is there something I am doing wrong? something I dont know of while using
g_oder. I have read the mailing list and made groups accordingly.
One more question: In the mailing list it was wriiten to make separate group
for CH3, CH2,CH. Is that the mistake I am doing since I am specifying the whole
chain. > Date: Sun, 3 Feb 2008 12:38:43 -0500> From: [EMAIL PROTECTED]> To:
gmx-users@gromacs.org> Subject: Re: [gmx-users] fatal error in g_order> > >
This issue is well-documented in the list archives. You need to create an
index> group that specifies *only* the groups of interest in the index file,
i.e. C16,> C17...> > There is a post (I believe from Dallas Warren) that even
gives examples of> make_ndx commands to create such groups, if you need that
kind of help.> > -Justin> > Quoting pragya chohan <[EMAIL PROTECTED]>:> > >> >
hi> > 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.> >> >
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========================================> > Justin A. Lemkul> Graduate Research
Assistant> Department of Biochemistry> Virginia Tech> Blacksburg, VA> [EMAIL
PROTECTED] | (540) 231-9080>
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/> >
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