[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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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