Re: [gmx-users] Resizing membrane (dopc, berger)

2009-04-27 Thread shayamra
Hi Chris, Thanks a lot for your quick reply - I will try to equilibrate. -Shay Quoting chris.ne...@utoronto.ca: The simplest way to get around what you describe is to continue with your procedure and then equilibrate your membrane. Use semiisotropic pressure coupling and you will have what

[gmx-users] Resizing membrane (dopc, berger)

2009-04-27 Thread chris . neale
The simplest way to get around what you describe is to continue with your procedure and then equilibrate your membrane. Use semiisotropic pressure coupling and you will have what you want after 20-50 ns. You could alternatively build and equilibrate your own membrane, but this will require

[gmx-users] Resizing membrane (dopc, berger)

2009-04-27 Thread shayamra
Hello dear GROMACS users, Lately I have been trying to user dopc membrane, using Berger united atoms and I am confounded by a problem regarding the size of the membrane. The original membrane from the website is X Y Z (including 128 lipids). Now I would like to multiply the membrane by 1.5