Problem demuxing a PTReplica Exchange

[cblau]

Hi luisbustom,

Sorry it took so long to reply to this thread - the problem has come up again here

Gmx trjcat -demux command causes fatal error: "Sorry, write_trxframe can not write unknown"

GROMACS version: 2020.1 GROMACS modification: No Hello, I’ve used GROMACS to perform a short REMD simulation (200 ps) in order to test whether my choice of temperature range allowed sufficient exchanges between replicas. The REMD simulations progressed and finished without problems and produced the following files in each replica directory: remd.part0001.log, remd.part0001.xtc, remd.part0001.edr, remd.part0001.trr, remd.part0001.gro using -deffnm remd and -noappend to run the REMD simula…

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