[gmx-users] -ter option with pdb2gmx

Justin A. Lemkul jalemkul at vt.edu
Fri Aug 19 15:34:50 CEST 2011

Vijayaraj wrote:
> Hello,
> I am trying to use "-ter" with the pdb2gmx command, seems its not 
> working fine.
>  >pdb2gmx -f <file.pdb> -o <file.gro. -p <file.top> -ter

If this is your command line it is severely broken.

> I also used "-inter" option, its not working.

Please define "not working."  It's working fine for me.

> I am using 4.5.4 version. any help would be greatly appreciated.

We can assist you only if you provide useful diagnostics of what (actual) 
command you entered, what the output was, and why it was not what you expected.



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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