[gmx-users] Index file

Shima Arasteh shima_arasteh2001 at yahoo.com
Mon Dec 31 17:45:20 CET 2012

It is 4.5.5.
I need to say that I had a pdb file which was produced by VMD, May it be the reason of problem?


From: Justin Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Monday, December 31, 2012 7:54 PM
Subject: Re: [gmx-users] Index file

On 12/31/12 11:20 AM, Shima Arasteh wrote:
> No, I see CL ions in gro file after using editconf, but when I want to make an index file, there is not CL option to choose!

What Gromacs version is this?  I cannot reproduce this problem with 4.5.5 or the development 4.6 version.  Anything I have with CL in it shows up in the make_ndx list.


-- ========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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