[gmx-users] Leaflet of Bilayer

minnale minnale_gnos at rediffmail.com
Fri Sep 19 11:09:20 CEST 2008


  

Hi Jochen thanks for your reply
I have gone through this recent mail http://www.gromacs.org/pipermail/gmx-users/2008-September/036508.html more over if I use genconf command like this
genconf -f .gro -o out -nbox 2 1 1 -dist 0 0 0 its adding 128 in eachleaflet I dont wany that many popc molecules. 

1.Is it wrong if I increase the popc molecules by using genbox?
2.Is there anyway to increase popc and water numbers by mentioning specific molecules number?
Could you suggest me
Thanks in advance.

On Fri, 19 Sep 2008 Jochen Hub wrote :
>minnale wrote:
> >
> > Hi all,
> >    I have extended popc bilayer(intial popc.pdb from Dr.Tielmen site) by using genbox command, I issued
> > genbox -cs popc128a.gro -o out.gro -box 9.2 9.2 6.9 it ran successfully with increase of popc and water molecules.
> >  Now I want to visualise this out file in VMD in a way that in eachleaflet how many popc molecules and water residues are there, May be this is trivial query.
> > Could you give me suggestion.
>
>If you want to enlarge a membrane patch, use genconf. Not genbox!
>
>jochen
>
>
>
>
> >
> >
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>--
>************************************************
>Dr. Jochen Hub
>Max Planck Institute for Biophysical Chemistry
>Computational biomolecular dynamics group
>Am Fassberg 11
>D-37077 Goettingen, Germany
>Email: jhub[at]gwdg.de
>Tel.: +49 (0)551 201-2312
>************************************************
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