[gmx-users] Regarding pdb file of a polymer
Justin A. Lemkul
jalemkul at vt.edu
Tue Jun 19 21:45:11 CEST 2012
On 6/19/12 3:17 PM, sreeta.g wrote:
> I am working with Polyvinyl Alcohol polymer. I have been following
> (procedure by Justin) this thread for a lot of guidance. I have obtained the
> coordinate file for PVA from other sources, however, I am unable to
> understand how the coordinate file was written in this format. All other
> sources of pdb files for polymers contain a fixed number of atoms and the
> entire chain is written in the coordinate file.
> Please direct me on this as to how the pdb file mentioned in the link has
> been created.
I created it with a simple molecule drawing program, probably PRODRG but I
honestly don't remember. It's a toy example, meant to be extremely simple in
order to illustrate the necessary concepts. Creating a topology for propane is
otherwise very easy ;)
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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