Re: [gmx-users] generating movie file

No, there are other tools for that (e.g. pymol + avidemux). I too was wondering if trjconv could produce an mp4 and add Morgan Freeman's voice as narration to my glorious trajectory, but was disappointed. Very useful for supplemental files for journals with IF>10. Maybe gmx developers should

[gmx-users] generating movie file

Hi gromacs users, Can we generate .mp4 file instead of .pdb using gmx trjconv? Thanks, Vidya.R -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read

[gmx-users] Using libgromacs in a CMake project built on the fly?

Is it possible to use libgromacs in a CMake based project which links the library in at build time (but from source as opposed to a system-wide installation?) So far I have the gromacs source included as a submodule from https://github.com/gromacs/gromacs.git located in the subdirectory

[gmx-users] Compiling Gromacs 2018 using Intel 2018.1 compiler on OSX 10.13.3

Hi, I’m trying to compile Gromacs 2018 with icc 2018.1.126 on a iMac using flag cmake .. -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc -DGMX_GPU=on -DGMX_USE_OPENCL=on -DGMX_SIMD=AVX2_256 -DGMX_FFT_LIBRARY=mkl -DREGRESSIONTEST_DOWNLOAD=ON The cmake succeed without any warning but during the

Re: [gmx-users] How to convert charmm str to itp file?

On 1/25/18 10:53 PM, 金 瑞涛 wrote: Greetings Miji That means you need to install netwokx. Try pip install networkx. if you still get other problem, it might caused by the lasted networkx, try the old version if other problem occurs, unless you are still missing other module. Just as a bit

Re: [gmx-users] Output velocities and forces for each step?

Is there a way to split the coordinates, velocities, and forces into separate .trr files? -- Mohd Farid Ismail26.01.2018, 15:00, "Mohd Farid Ismail" :That does it. Thank you for your quick reply. -- Mohd Farid Ismail26.01.2018, 13:19, "Shrinath Kumar"

[gmx-users] printf + trjcat

Hey! I'm trying to use ``` printf "c\nc\nc" | trjcat -f 1.trr 2.trr 3.trr -o all.trr -settime ``` without results. I readed in other threads, here at the list, that it can be used as: ``` trjcat -f 1.trr 2.trr 3.trr -o all.trr -settime | T. +34 934020938 -