Re: [gmx-users] is there a way to get pullx.xvg and pullf.xvg from traj_comp.xtc?

On 7/2/16 8:11 PM, Ming Tang wrote: Thanks Justin, mdrun -rerun works. But I failed to fix it via gmx traj with this command: gmx traj -f traj_comp.xtc -s topol.tpr -ox pullfx.xvg -of pullf.xvg -dt 400 error say .xtc file do not have force information. Is the command I used correct? No,

Re: [gmx-users] is there a way to get pullx.xvg and pullf.xvg from traj_comp.xtc?

Thanks Justin, mdrun -rerun works. But I failed to fix it via gmx traj with this command: gmx traj -f traj_comp.xtc -s topol.tpr -ox pullfx.xvg -of pullf.xvg -dt 400 error say .xtc file do not have force information. Is the command I used correct? -- Gromacs Users mailing list * Please search

Re: [gmx-users] is there a way to get pullx.xvg and pullf.xvg from traj_comp.xtc?

On 7/1/16 6:28 PM, Ming Tang wrote: Dear list, I did SMD, but saved the pullx.xvg and pullf.xvg much less frequently compared to the traj_comp.xtc. is it possible to get a more frequently written pull COM coordinates and forces based on the traj_compxtc file I have? Either use mdrun

[gmx-users] is there a way to get pullx.xvg and pullf.xvg from traj_comp.xtc?

Dear list, I did SMD, but saved the pullx.xvg and pullf.xvg much less frequently compared to the traj_comp.xtc. is it possible to get a more frequently written pull COM coordinates and forces based on the traj_compxtc file I have? Thank you, Ming -- Gromacs Users mailing list * Please search

[gmx-users] is there a way to get pullx.xvg and pullf.xvg from traj_comp.xtc?

Dear list, I did SMD, but saved the pullx.xvg and pullf.xvg much less frequently compared to the traj_comp.xtc. is it possible to get a more frequently written pull COM coordinates and forces based on the traj_compxtc file I have? Thank you -- Gromacs Users mailing list * Please search the