[gmx-users] Analysis of trajectory form Gromacs 5.1.2. in Gromacs 5.0.4

König, Melanie melanie.koenig at rwth-aachen.de
Wed Apr 20 13:25:24 CEST 2016

Dear all,

I ran the MD simulation of my system on a  cluster using the new Gromacs version 5.1.2. I  want to analyse the trajectory on my computer with Gromacs tools from version 5.0.4. No matter which tool I use, a problem occurs. Gromacs tries to read the md.tpr file but gives an error

Reading file md.tpr, VERSION 5.1.2 (single precision)

Reading file md.tpr, VERSION 5.1.2 (single precision)

Segmentation fault: 11

I do not want to change my local Gromacs version as I use the tool g_distMat to calculate contact frequencies between two groups. As far as I know there is no tool in the new version that can do this job. Maybe there is a possibility to convert the MD files created with a new version?


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