RE: [gmx-users] fatal error in g_order

2008-02-04 Thread Justin A. Lemkul
omething 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:

RE: [gmx-users] fatal error in g_order

2008-02-04 Thread pragya chohan
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 t

Re: [gmx-users] fatal error in g_order

2008-02-03 Thread Justin A. Lemkul
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 t