[gmx-users] Problem with Lysozyme in Water Tutorial
Stephen P. Molnar
s.molnar at sbcglobal.net
Tue Feb 3 20:22:10 CET 2015
Ok. I understand the replys.
I only have a couple of further questions.
A link to grompp is in /usr/local/gromacs/bin.
Why isn't ions.mdp in the run directory and then, where is it?
Thanks in advance.
On 02/02/2015 12:29 PM, HANNIBAL LECTER wrote:
> It just means you either missed grompp "-f ions.mdp" ...
> the ions.mdp file is not there in the directory where you are performing
> your simulations.
> 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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Stephen P. Molnar, Ph.D. Life is a fuzzy set
Foundation for Chemistry Stochastic and Multivariate
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