Re: [gmx-users] Problem with combining the .edr files

Thanks Mark :-) Problem solved. On Wed, Mar 15, 2017 at 1:10 PM, Mark Abraham wrote: > Hi, > > Judging from your start times, you're concatenating apples with oranges :-) > In this case, probably NVT equilibration with NPT production, or similar. > Arguably,

Re: [gmx-users] Problem with combining the .edr files

Hi, Judging from your start times, you're concatenating apples with oranges :-) In this case, probably NVT equilibration with NPT production, or similar. Arguably, concatenating the trr files in that case is also conceptually wrong, even if the file format is not robust enough to hint that you're

[gmx-users] Problem with combining the .edr files

Dear Gromacs users, I did a simulation in parts using -noappend command, so I have a few .trr and .edr files which I wish to merge. I have difficulty with that and I could not find any related post on that except this one: http://comments.gmane.org/gmane.science.biology.gromacs.user/68806 Using