[gmx-users] Help, Errors while compiling gromacs under Mac OS X 10.5 Leopard

I am trying to set up gromacs on a G4 powerbook 1.25 GB RAM, 60 MB Drive, I have upgraded to OS X 10.5. I am using the Darwinports installer. As instructed, I have installed XCode tools, X11 SDK. I got xmgrace to work, however, gwyddion, rasmol and gromacs error on compilation. For gromacs, I

[gmx-users] Grid: 19 x 14 x 14 cells

Dear all, During my simulation, in the md.log file there always appeared Grid: 19 x 14 x 14 cells Grid: 18 x 14 x 14 cells Grid: 19 x 14 x 14 cells Grid: 18 x 14 x 14 cells Grid: 19 x 14 x 14 cells Grid: 18 x 14 x 14 cells Grid: 19 x 14 x 14 cells What did it mean? Best regards,

[gmx-users] Installation on IBM AIX

Dear gmx users: I asked my question days ago, but no body answers me. So I think I should make my question compacter. I met a trouble when I installed Gromacs on IBM A.I.X 5.2.0.0. So I want to list my problem here beging for your helps. I start my installation

Re: [gmx-users] Replica Exchange MD using Gromacs

Dear Monika, the setup of a REMD simulation is actually quite straightforward. In the following I describe steps that would lead you to have a REMD simulation running on a given system. The "success" of the simulation will depend entirely on the problem you are addressing and the criterion you j

Re: [gmx-users] Replica Exchange MD using Gromacs

Quoting Monika Sharma <[EMAIL PROTECTED]>: > Hi!! > Thanks for suggestion. But still the problem is that whatever literature > i have, I could just get the way that they just did replica exchange at > these or that intervals. But still couldn't get clear the protocol of > doing replica exchange us

Re: [gmx-users] Replica Exchange MD using Gromacs

Hi!! Thanks for suggestion. But still the problem is that whatever literature i have, I could just get the way that they just did replica exchange at these or that intervals. But still couldn't get clear the protocol of doing replica exchange using Gromacs. That's why i wished for some pieces of ad