[gmx-users] Generating topology

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 22 06:15:37 CET 2012


On 22/03/2012 2:54 PM, Spring buds wrote:
> Hi
>
> A protein sits on the top of another protein (not docking). I then 
> used pdb2gmx command to generate the topology. Surprisingly, i got 
>  five files, as given below: I think the two proteins are not 
> connected each other. is it possible to make it one posre and topol file.

Yes, see discussion in pdb2gmx -h. (Checking -h should always been a 
first place to look for information)

Mark

>
> Many thanks in advance
>
> posre_Protein_chain_A.itp
> posre_Protein_chain_A2.itp
> topol.top
> topol_Protein_chain_A.itp
> topol_Protein_chain_A2.itp
>
>
>
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120322/748c8aa4/attachment.html>


More information about the gromacs.org_gmx-users mailing list