[gmx-users] lipids number

[#ZHAO LINA#]

I have a vague impression about that, seems someone asked similar things before.

I will do a try and see.

Thanks,

lina
________________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Justin A. Lemkul [jalemkul at vt.edu]
Sent: Wednesday, September 29, 2010 9:06 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] lipids number

#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.

-Justin

> Thanks and best regards,
>
> lina
>

--
========================================

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

========================================
--
gmx-users mailing list    gmx-users at gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists