[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.
> 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
This is generally not a good idea, unless you have positive evidence
otherwise. But please provide more info. What kind of topologies?
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
gmx-users mailing list
gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users