[gmx-users] gmx mdrun, VERSION 5.0.2

K. Subashini subashinik at hotmail.com
Fri Feb 2 16:22:47 CET 2018

Hi gmx users,

I use GROMACS version 5.0.2

I got the following error, while giving gmx mdrun -nt 8 -v -deffnm NVT.tpr

Reading file NVT.tpr, VERSION 5.1.4 (single precision)
Program mdrun, VERSION 5.0.2
Source code file: /opt/gromacs-5.0.2/src/gromacs/fileio/tpxio.c, line: 3303
Fatal error:
reading tpx file (NVT.tpr) version 103 with version 100 program

I follow the gromacs tutorial (By Dr.Justin) which is for version 5.x series. Why do I face this error?

Anything wrong with my input file?


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