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!
Sincerely, Shima ________________________________ From: Justin Lemkul <[email protected]> To: Shima Arasteh <[email protected]>; Discussion list for GROMACS users <[email protected]> Sent: Monday, December 31, 2012 6:02 PM Subject: Re: [gmx-users] Index file On 12/31/12 3:17 AM, Shima Arasteh wrote: > > I know that I can use pdb and build my index file. But I want to know the >problem. What's the problem? > It sounds rather unbelievable that editconf would mysteriously delete atoms. There is no way for anyone to say what is going on given the current information. Please post: 1. Your editconf command 2. The first and last few lines of atoms section of the original .pdb file 3. The first and last few lines of the resulting .gro file -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
