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


More information about the gromacs.org_gmx-users mailing list