[gmx-users] gromacs-4.6.5 topol file error

[Yaser Hosseini]

i dont know how can create ions.mdp file for grompp command in gromacs .
where can i found it??




On Thursday, September 25, 2014 11:14 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
 




On 9/25/14 2:15 PM, yaser wrote:
> i did it but i get this error again.
>

If the file is, in fact in the working directory and has readable permissions, 
it is impossible to trigger this error.

-Justin

> Sent from my iPad
>
>> On Sep 25, 2014, at 19:29, Justin Lemkul <jalemkul at vt.edu> wrote:
>>
>>
>>
>>> On 9/25/14 9:56 AM, Yaser Hosseini wrote:
>>> hi gromacs users
>>>
>>> i got this error what can i do??
>>>
>>> Program pdb2gmx, VERSION 4.6.5
>>> Source code file: /build/buildd/gromacs-4.6.5/src/gmxlib/futil.c, line: 593
>>>
>>> File input/output error:
>>> 1AKI.pdb
>>> For more information and tips for troubleshooting, please check the GROMACS
>>> website at http://www.gromacs.org/Documentation/Errors
>>
>> Put 1AKI.pdb in your working directory.
>>
>> -Justin
>>
>> --
>> ==================================================
>>
>> Justin A. Lemkul, Ph.D.
>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>>
>> Department of Pharmaceutical Sciences
>> School of Pharmacy
>> Health Sciences Facility II, Room 601
>> University of Maryland, Baltimore
>> 20 Penn St.
>> Baltimore, MD 21201
>>
>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
>> http://mackerell.umaryland.edu/~jalemkul
>>
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-- 
==================================================

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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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