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-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@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@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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists