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.> >> > 
_________________________________________________________________> > Tried the 
new MSN Messenger? It’s cool! Download now.> >> 
http://messenger.msn.com/Download/Default.aspx?mkt=en-in_______________________________________________>
 > gmx-users mailing list gmx-users@gromacs.org> > 
http://www.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive 
at http://www.gromacs.org/search before posting!> > Please don't post 
(un)subscribe requests to the list. Use the> > www interface or send it to 
[EMAIL PROTECTED]> > Can't post? Read 
http://www.gromacs.org/mailing_lists/users.php> >> > > > 
========================================> > 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/> > 
========================================> 
_______________________________________________> gmx-users mailing list 
gmx-users@gromacs.org> http://www.gromacs.org/mailman/listinfo/gmx-users> 
Please search the archive at http://www.gromacs.org/search before posting!> 
Please don't post (un)subscribe requests to the list. Use the > www interface 
or send it to [EMAIL PROTECTED]> Can't post? Read 
http://www.gromacs.org/mailing_lists/users.php
_________________________________________________________________
Post ads for free - to sell, rent or even buy.www.yello.in
http://ss1.richmedia.in/recurl.asp?pid=186
_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to