[gmx-users] Gromacs 2018.1 and GROMACS Tutorial (Justin A. Lemkul)

Adarsh V. K. adarsh_p130085bt at nitc.ac.in
Sat Apr 21 07:30:29 CEST 2018

Dear Justin A. Lemkul,

I have installed Gromacs 2018.1 in a system with Ubuntu 16.04, cuda 8 and
GTX1080Ti. The compilation part regressiontests and installation of Gromacs
2018.1 was successful with out any errors. Before doing actual experiments
with new version, I thought of working with GROMACS Tutorial
A. Lemkul, Ph.D.**, Department of Pharmaceutical Sciences,University of
Maryland, Baltimore*). But while working with example from tutorial,
returns a number of errors..! . For example  Tutorial 1: Lysozyme in Water
, the fourth step itself giving errors, While same example is working fine
with Gromcs 5.1.4. Can you please suggest any modifications? Is it problem
with .mdp file?. Is there any new tutorial for Gromacs 2018.1?

Adarsh V. K.

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