[gmx-users] Re: please help me on last query

Justin A. Lemkul jalemkul at vt.edu
Fri Aug 21 16:40:56 CEST 2009

abhijit kayal wrote:
>        Hi
> As you said I generated a pdb file of n-butane in PRODRG . I am 
> executing following command.
> pdb2gmx -f ALA.pdb -p ALA.top -o ALA.gro
> It is successfully working on amino acid residue.
> But when i am executing for butane.
> pdb2gmx -f BUTANE.pdb -p BUTANE.top -o BUTANE.gro
> Fatal error:
> Residue 'DRG' not found in residue topology database
> It is showing above errors.Please help me out on this.

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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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