RE: [gmx-users] PVT-simulation

> Date: Thu, 3 May 2007 23:42:28 +1000> From: [EMAIL PROTECTED]> To: > gmx-users@gromacs.org> Subject: Re: [gmx-users] PVT-simulation> > Jiang ran > wrote:> > Hello everybody,> > > > Thank you all for your suggestions ,> > I > red the Groma

Re: [gmx-users] PVT-simulation

3 maj 2007 kl. 15.42 skrev Mark Abraham: Jiang ran wrote: Hello everybody, Thank you all for your suggestions , I red the Gromacs software package manual but found that PVT was not implemented yet in the Gromacs software package. I want to conserve both volume and pressure because my p

Re: [gmx-users] PVT-simulation

Jiang ran wrote: > Hello everybody, > > Thank you all for your suggestions , > I red the Gromacs software package manual but found that PVT was not > implemented yet in the Gromacs software package. I want to conserve > both volume and pressure because my professor says that they are both >

RE: [gmx-users] PVT-simulation

> Date: Thu, 26 Apr 2007 15:52:10 +0200> From: [EMAIL PROTECTED]> To: > gmx-users@gromacs.org> Subject: Re: [gmx-users] PVT-simulation> > Jiang ran > wrote:> > Hello everybody,> > My name is called Jiong and I'm new to the > GROMACS simulation so

Re: [gmx-users] PVT-simulation

Jiang ran wrote: Hello everybody, My name is called Jiong and I'm new to the GROMACS simulation software package and the field of MD. I have some few question: I would like to simulate a protein in a water box in the PVT-ensemble. How to correctly set up such a system in GROMACS ? I already