[gmx-users] starting a simulation of a peptide lipid bilayer

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Apr 25 12:52:53 CEST 2007

Hi Nur,

This exact same question has crossed the mailing list several times.
Check the archives.


On 4/25/07, nur avneet <nuravneet at yahoo.co.in> wrote:
> Dear All
> I got the lipid topology files from http://moose.bio.ucalgary.ca/.
> and it also gives the lipid.itp file.
> When i include both the lipid and my required dppc.itp file in the topology
> file...it gives an error saying;"Invalid order for directive atomtypes, file
> "lipid.itp", line 9...what is wrong??
> The dppc.itp file has atomnames that dont correspond to ffg43a1 ...so is it
> possible that we make the itp file through prodrg2 server and then proceed..
> regards
> nur
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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