[gmx-users] Index file

Justin Lemkul jalemkul at vt.edu
Mon Dec 31 15:32:59 CET 2012



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

-- 
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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

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