[gmx-users] get a box of 100 molecules
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Mar 11 17:58:32 CET 2009
Adrien Delmont wrote:
>
>
> ------------------------------------------------------------------------
> *From:* Adrien Delmont <adriendelmont at yahoo.com>
> *To:* jalemkul at vt.edu
> *Sent:* Wednesday, March 11, 2009 6:09:53 PM
> *Subject:* Re: [gmx-users] get a box of 100 molecules
>
> I didn't get gro and top files with any force field in Gromacs. I
> basicly want to use oplsaa and GROMOS96 43a2 force field (improved
> alkane dihedrals) . I think I should add all the parameters but how can
> I add my parametes both into oplsaa and GROMOS96 43a2 force field ?
You can't just mix force fields. See
http://wiki.gromacs.org/index.php/force_field
Mark
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