Hi everybody! This is a sort-of general question that I am not sure where to find the answer for. I am running a simulation on the order of tens of microseconds. However I also want to do some analysis on the order of very small time steps but I do not want to save the data of very small time steps throughout the length of the simulation as it will be taxing for the memory. I was wondering if there was a way to be able to store small time steps for a small time during the simulation and continue to increase the amount of time that energy/forces/coordinates are written and stored?
I understand the mdp files control the output, but I do not know how to have a non-linear output of data using nstxout etc. Please let me know if you have any ideas/have succeeded in getting Gromacs to do this! -- View this message in context: http://gromacs.5086.x6.nabble.com/Is-non-linear-data-output-storage-possible-tp5008858.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
