[gmx-users] membrane simulation

Justin A. Lemkul jalemkul at vt.edu
Thu May 3 16:40:35 CEST 2012

On 5/3/12 10:39 AM, scaprari at uniroma3.it wrote:
> Than you very much for your reply.
> I'm using ffnonbonded.itp etc. I still have some doubts regarding to the
> topology file which has to be used. Should I work and modify the topology
> file associated with the protein by adding the information related to the
> DPPC lipids as reported in the manual? I mean: is it ok if I use the
> topology file created at the beginning from pdb2gmx command on the protein
> and modify it?

That is an appropriate workflow.  The tutorial walks you through all the 
necessary steps, so do follow it carefully.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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