Re: [gmx-users] query

'd hoped for, but think of the saying > "give a man a fish and he can eat for a day; teach a man how to fish > and..." :) That's always a good approach, but for starters you might want to take a look at tfe.itp in the share/top directory. -- Groeten, Paul van Maaren __

Re: [gmx-users] Buckingham model for liquid of water

doi.org/} } -- Groeten, Paul van Maaren ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PRO

Re: [gmx-users] [EMAIL PROTECTED] on PS3 == Gromacs on PS3?

re. Apparently it has happened: http://folding.stanford.edu/news.html -- Groeten, Paul van Maaren ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to

Re: [gmx-users] Constant Volume Simulation.

+++ karamyog singh [Fri, Jun 30, 2006 at 03:27:47PM +0200]: > Dear users, How can I do a constant volume simulation in Gromacs? By > removing Pressure coupling, it is constant pressure. By removing both > Pressure and Temp coupling, it will be constant energy simulation. > What is the method of imp

Re: [gmx-users] g_dipoles -slab option

+++ Bob Johnson [Wed, May 24, 2006 at 08:37:01PM -0400]: > for some reason and I can't interepret it. The first column is the position of > the water slab. I can only assume that column 2 is the dipole in the x > direction and column 3 is the dipole in the y direction and so on. Is that > correct?

Re: [gmx-users] Problem with g_energy in Gromacs 3.3!

+++ Hu Zhongqiao [Tue, May 16, 2006 at 04:06:42PM +0800]: > > I tried to input "Potential" but failed to get results. > Try again and hit the enter key twice. Works for me... Maybe this should be added to the analysis FAQ? -- Groeten, Paul ___ g

Re: [gmx-users] Cannot open any files from the website

+++ Joshua D. Moore [Mon, May 15, 2006 at 06:54:09PM -0400]: > I am not sure what I am doing wrong. I think you are doing nothing wong. This seems to be an permission issue: $ cat trjconv.c.gz Warning: fopen(/data/gmx/www-gmx/dmdocuments/trjconv.c.gz) [function.fopen]: failed to open stream: P

Re: [gmx-users] problem with g_energy in 3.3.1

+++ James Rustad [Sat, May 13, 2006 at 12:56:50PM -0700]: > I find that when I try to run the new g_energy, I don't get numbers by > the categories (pressure, temperature, x-box, etc.) and can't select > them. If I move the ener.edr file over to my other machine with 3.3, > the thing reads fine.

Re: [gmx-users] Polarisable water topology / Ions

+++ Maxim Fedorov [Fri, Mar 10, 2006 at 07:56:49PM +]: > > 1. Does anybody have a 'ready-to-run' topology > for SW water (the polarisable water model from J.Phys. Chem. B (2001), > 105, 2618? > As I see the sw.itp in the standart distribution > has improper order of directives. Am I right or