Re: [gmx-users] empty energy file

Hi Mark, hi Dallas, I'll try your suggestion. Thanks a lot!! Jan Mark Abraham schrieb: > kobi wrote: >> Hello, >> >> I have got a little Problem here. Since I added the option "-t >> 2nd_equi.trr" to my grompp command to takeover all >> velocities from my equillibrated state, my energy file (ful

Re: [gmx-users] empty energy file

kobi wrote: Hello, I have got a little Problem here. Since I added the option "-t 2nd_equi.trr" to my grompp command to takeover all velocities from my equillibrated state, my energy file (full.edr) is created, but nothing is written to it any more. Could anybody tell me what I did wrong? My r

RE: [gmx-users] empty energy file

Jan, Fact that no output to the energy file is probably due to the fact that the data is cached in memory until there is sufficient amount of data to be written to the file. Since the simulation crashed and the file is empty, appears that the threshold to write some data to the file was not reach

[gmx-users] empty energy file

Hello, I have got a little Problem here. Since I added the option "-t 2nd_equi.trr" to my grompp command to takeover all velocities from my equillibrated state, my energy file (full.edr) is created, but nothing is written to it any more. Could anybody tell me what I did wrong? My runs were abort