[gmx-users] Problem with Lysozyme in Water Tutorial

Justin Lemkul jalemkul at vt.edu
Mon Feb 2 18:38:20 CET 2015

On 2/2/15 12:10 PM, Stephen P. Molnar wrote:
> I have installed v-5.0.4 in Debian Wheezy without any warning or erroe messages.
> I have tried running the Lysozyme in Water Tutorial ( the one written for v-5)
> and have generated an error message in Step 4.
> The message is:
> File input/output error:
> ions.mdp
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> I checked the reference and did not find one [defaults] directive in the .itp
> file, let alone two
> Pleas advise.

You don't have ions.mdp in the working directory.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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