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

[Mark Abraham]

Hi,

Nobody will be able to help unless you share what the error was.

Mark

On Sat, Apr 21, 2018, 07:30 Adarsh V. K. <adarsh_p130085bt at nitc.ac.in>
wrote:

> 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
> <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/>
> (*Justin
> 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
> <
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html
> >
> , 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?
>
> Regards,
> Adarsh V. K.
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