[gmx-users] lipids number

Justin A. Lemkul jalemkul at vt.edu
Wed Sep 29 15:06:04 CEST 2010

#ZHAO LINA# wrote:
> Hi,
> I am not sure someone asked some similar questions before or not.
>  >From Prof. Peter Tieleman's website we can get the 128 lipids pdb file.
> Are there some trick and easy way to multiply those lipids . I mean,
> Suppose I need 640 dppc lipids, how can I get those coordinates easily 
> from those dppc128 ones.

You can make integer multiples of a box with genconf -nbox.  Otherwise use 
genbox -cs dppc128.pdb -box (x y z) until you get a system of appropriate size. 
  There was a very similar post yesterday about this same topic.  I would 
suggest you have a look at the information Chris Neale posted about the 
specifics of box size (genbox caveats) and the need for proper equilibration.


> Thanks and best regards,
> lina


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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