Re: [gmx-users] Re: Gromacs analysis tools for Namd output

Hey Paul, cant help you with the plugin issue, but have you instead tried loading the dcd trajectory into vmd and save it as trr? Cheers, Micha On 7 Feb 2012, at 18:18, "PAUL NEWMAN" mailto:paulcliz...@gmail.com>> wrote: Dear Gromacs users, This is my second email since I tried the previous

Re: [gmx-users] overheating problem

Hey there, I use it on Ubuntu with no problems whatsoever, but I have Xeon W series CPUs. GROMACS runs fine with and without HT, so I would also think your problem is related to your hardware. Micha On 4 Feb 2012, at 12:16, "ahmet yıldırım" mailto:ahmedo...@gmail.com>> wrote: Hi, The proble

Re: [gmx-users] GROMACS+CPMD QM/MM

Hey Jacob, I think you also have to use the flag --without-qmmm-gaussian. Cheers, Micha On 26 Jul 2011, at 21:26, Jacob Jantzi wrote: > Hello everyone, > > I'm trying to run Gromacs, and use CPMD for QM. I have cpmd compiled and > running, but when I try to start mdrun_d with gromacs, I get th

[gmx-users] Running QM/MM in parallel (ORCA/GMX)

Hey there, after working through the helpful tutorials about QM/MM I now ran into a problem when it comes to run ORCA/GROMACS in parallel and I could not find anything about this in the mailing list or on the gromacs page. I can run GROMACS or ORCA in parallel and QM/MM on a single core, but no