[gmx-users] NVE simulation

Hello! Is it possible to run NVE simulations insteed of NVT or NPT in Gromacs? Thomas -- Schon gehört? GMX hat einen genialen Phishing-Filter in die Toolbar eingebaut! http://www.gmx.net/de/go/toolbar -- gmx-users mailing listgmx-users@gromacs.org

Re: [gmx-users] NVE simulation

Thomas Koller wrote: Hello! Is it possible to run NVE simulations insteed of NVT or NPT in Gromacs? Yes. http://www.gromacs.org/Documentation/Terminology/NVE -Justin Thomas -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar

[gmx-users] nve simulation

Dear Gmx users, I wanted to do a simulation with NVE ensemble but i want the temprature to be always around 300k but in my simulation the temp is 380k.can anyone help me out with this. regards, sree. -- gmx-users mailing listgmx-users@gromacs.org

[gmx-users] NVE simulation and pressure scaling in one dimension and constant size simulation in another.

Hi all, I want to know how to set a NVE simulation ? Now I can do a NVT or NPT simulation. How to realize pressure scaling in one dimension and constant size simulation in another? For example,the simulation box size in the z-direction was adjusted to maintain the constant pressure,

Re: [gmx-users] NVE simulation and pressure scaling in one dimension and constant size simulation in another.

zhongjin wrote: Hi all, I want to know how to set a NVE simulation ? Now I can do a NVT or NPT simulation. tcoupl = no pcoupl = no http://www.gromacs.org/Documentation/Terminology/NVE How to realize pressure scaling in one dimension and constant size simulation in another? For