[gmx-users] Problem with Lysozyme in Water Tutorial

[Stephen P. Molnar]

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" ...
>
> OR
>
> 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>
> 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.
>>
>> Thanks in advance.
>>
>> --
>> Stephen P. Molnar, Ph.D.                 Life is a fuzzy set
>> Foundation for Chemistry                 Stochastic and Multivariate
>> www.FoundationForChemistry.com
>> (614)312-7528(c)
>> Skype:  smolnar1
>>
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/
>> Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>

-- 
Stephen P. Molnar, Ph.D.                Life is a fuzzy set
Foundation for Chemistry                Stochastic and Multivariate
www.FoundationForChemistry.com
(614)312-7528(c)
Skype:  smolnar1