[gmx-users] gromacs-4.6.5 topol file error

yaser yaser790 at yahoo.com
Thu Sep 25 21:22:28 CEST 2014


i did it but i get this error again.

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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