[gmx-users] Gromacs Building Blocks
jalemkul at vt.edu
Tue Apr 9 16:17:46 CEST 2013
On Tue, Apr 9, 2013 at 9:59 AM, Lara Bunte <lara.bunte at yahoo.de> wrote:
> I read about Gromacs building blocks (
> http://www.gromacs.org/Documentation/File_Formats/Gromacs_Building_Blocks) and there is written following table. How to do a MD Smiluation with this
> building blocks?
A "building block" is just some species that Gromacs recognizes by default,
e.g. it is an .rtp entry. That list is probably very outdated and likely
only applies to gmx.ff, which no one should be using for anything. Consult
your chosen force field's .rtp file for what it supports.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540)
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