[gmx-users] Gromacs 2018.1 and GROMACS Tutorial (Justin A. Lemkul)
mark.j.abraham at gmail.com
Sat Apr 21 14:24:03 CEST 2018
Nobody will be able to help unless you share what the error was.
On Sat, Apr 21, 2018, 07:30 Adarsh V. K. <adarsh_p130085bt at nitc.ac.in>
> 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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