[gmx-users] Problem with Lysozyme in Water Tutorial
hanniballecter13 at gmail.com
Mon Feb 2 18:29:28 CET 2015
It just means you either missed grompp "-f ions.mdp" ...
the ions.mdp file is not there in the directory where you are performing
On Mon, Feb 2, 2015 at 12:10 PM, Stephen P. Molnar <s.molnar at sbcglobal.net>
> I have installed v-5.0.4 in Debian Wheezy without any warning or erroe
> 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:
> 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.
> Thanks in advance.
> Stephen P. Molnar, Ph.D. Life is a fuzzy set
> Foundation for Chemistry Stochastic and Multivariate
> Skype: smolnar1
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