Re: [gmx-users] xtc trajectory only

Hi, What does gmx check or dump tell you about what is in the files you're writing? Mark On Fri, 14 Jul 2017 08:30 Atila Petrosian wrote: > Dear Mark, > Thanks for your answer. > > I deleted (nstxout = 5000) in mdp file. But still both of xtc and > trr trajectory

[gmx-users] xtc trajectory only

Dear Mark, Thanks for your answer. I deleted (nstxout = 5000) in mdp file. But still both of xtc and trr trajectory files were created. Best, Atila -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't

Re: [gmx-users] xtc trajectory only

Hi, Don't choose to write to the "output trajectory" then :-) See http://manual.gromacs.org/documentation/2016.3/user-guide/mdp-options.html#output-control Mark On Thu, Jul 13, 2017 at 6:35 PM Atila Petrosian wrote: > Dear Gromacs users, > > I am using the following

[gmx-users] xtc trajectory only

Dear Gromacs users, I am using the following mdp options: integrator = md dt = 0.03 nsteps = 500 nstcomm = 100 nstxout = 5000 nstvout = 5000 nstfout = 0 nstlog