[gmx-users] regarding missing atom

Justin A. Lemkul jalemkul at vt.edu
Wed Jul 20 12:44:57 CEST 2011

subramaniam boopathi wrote:
> dear sir,
>         i was doing gromacs when i run pdb2gmmx i got following error 
> that is some atom missing

You need to provide an intact structure to pdb2gmx.  You will have to use other 
software to replace the missing atoms.  There are various programs that can do this.




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


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