[gmx-users] Merging two topology files

Naser, Md Abu mn2 at hw.ac.uk
Thu Oct 13 14:30:51 CEST 2005


Thanks David for your response.

I have decane water interface and protein is solvated in water phase of the system. 
I am using GROMOS-96 for protein and GROMACS force field for  decane which is actually provided by you.
I started off with decane to make susre that I have a correct density using GROMACS force field
and then I have protein topoly of GORMOS-96 using pdb2gmx. I managed to build the system using genbox.
I believe ther sould not be any problem using this approach. All I need to figure out how to merge these two topology files.
Any suggestions?

With regards,

Abu



> Hi All,
> 
> I have two topology files of two different force fields. I am having
> problems with merging them. Can anyone advise me regarding the
> problem?
This is generally not a good idea, unless you have positive evidence
otherwise. But please provide more info. What kind of topologies?

David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

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