Re: [gmx-users] Leaflet of Bilayer

2008-09-22 Thread Alan Dodd
ed it for 20ns or so. - Original Message From: "[EMAIL PROTECTED]" <[EMAIL PROTECTED]> To: gmx-users@gromacs.org Sent: Monday, September 22, 2008 6:55:37 AM Subject: [gmx-users] Leaflet of Bilayer In my opinion, use any technique that you want (genbox included) thenĀ  run

[gmx-users] Leaflet of Bilayer

2008-09-21 Thread chris . neale
In my opinion, use any technique that you want (genbox included) then run the resulting system for >=50ns while plotting the area per lipid and order parameters over time. When these values stop drifting over time then you have an equilibrated bilayer. If you have access to a cluster that s

Re: [gmx-users] Leaflet of Bilayer

2008-09-19 Thread Nicolas Sapay
Justin A. Lemkul wrote: minnale wrote: 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

Re: [gmx-users] Leaflet of Bilayer

2008-09-19 Thread Justin A. Lemkul
minnale wrote: 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 t

Re: Re: [gmx-users] Leaflet of Bilayer

2008-09-19 Thread minnale
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 mole

Re: [gmx-users] Leaflet of Bilayer

2008-09-19 Thread Jochen Hub
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 fi

[gmx-users] Leaflet of Bilayer

2008-09-19 Thread minnale
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 ea