<p dir="ltr">Hi everyone,its possible to restart a MD simulation just after the power crashing instead restart from the beginning?thanks</p>
<div class="quote">Em 26/09/2015 7:00 AM, gromacs.org_gmx-users-request@maillist.sys.kth.se escreveu:<br type='attribution'><blockquote class="quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Today's Topics:<br />
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1. Re: Analysis of old xtc file using gromacs-5 tools (Teemu Murtola)<br />
<br />
<br />
----------------------------------------------------------------------<br />
<br />
Message: 1<br />
Date: Sat, 26 Sep 2015 08:57:00 +0000<br />
From: Teemu Murtola <teemu.murtola@gmail.com><br />
To: gmx-users@gromacs.org<br />
Subject: Re: [gmx-users] Analysis of old xtc file using gromacs-5<br />
tools<br />
Message-ID:<br />
<CAB5URpYuBR4kG=LKkxCCfrnsk7Y-ft_M=zuUW-_h+eVqNZh7ug@mail.gmail.com><br />
Content-Type: text/plain; charset=UTF-8<br />
<br />
This error has nothing to do with the contents of the file, but rather the<br />
operating system appears to be telling Gromacs that the file cannot be<br />
opened or that it is not a regular file. With the information here, it's<br />
difficult to say anything more; if you want to debug this further, the<br />
relevant function is gmx::File::exists().<br />
<br />
It would be useful to know what's the problem so that the check (or the<br />
error message) can be improved.<br />
<br />
Best regards,<br />
Teemu<br />
<br />
On Fri, Sep 25, 2015, 21:20 Venkat Reddy <venkat4bt@gmail.com> wrote:<br />
<br />
> Hi Tsjerk,<br />
> Thank you for the quick reply. Yes I can access it with other versions,<br />
> like 4.5.5, 5.0.4.<br />
><br />
> On Fri, Sep 25, 2015 at 11:33 PM, Tsjerk Wassenaar <tsjerkw@gmail.com><br />
> wrote:<br />
><br />
> > Hi Venkat,<br />
> ><br />
> > Does it exist? Is it accessible? The XTC format did not change since the<br />
> > early years of Gromacs. Can you access it with a different version?<br />
> ><br />
> > Cheers,<br />
> ><br />
> > Tsjerk<br />
> > On Sep 25, 2015 19:52, "Venkat Reddy" <venkat4bt@gmail.com> wrote:<br />
> ><br />
> > > Dear all,<br />
> > > I have a trajectory file generated by gromacs-4.5.5. Recently I tried<br />
> to<br />
> > > plot radial distribution function using 'gmx rdf' tool available in<br />
> > > gromacs-5.1. But I am getting the following error.<br />
> > > Error in user input:<br />
> > > Invalid command-line options<br />
> > > In command-line option -f<br />
> > > File 'system.xtc' does not exist or is not accessible.<br />
> > ><br />
> > > I knew that gromacs old trajectories can be analysed using new version<br />
> > > tools. But why I am facing this error?<br />
> > ><br />
> > ><br />
> > > With regards<br />
> > > Venkat Reddy Chirasani<br />
> > > PhD student<br />
> > > Laboratory of Computational Biophysics<br />
> > > Department of Biotechnology<br />
> > > IIT Madras<br />
> > > Chennai<br />
> > > INDIA-600036<br />
> > > --<br />
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> --<br />
> With Best Wishes<br />
> Venkat Reddy Chirasani<br />
> PhD student<br />
> Laboratory of Computational Biophysics<br />
> Department of Biotechnology<br />
> IIT Madras<br />
> Chennai<br />
> INDIA-600036<br />
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> Gromacs Users mailing list<br />
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End of gromacs.org_gmx-users Digest, Vol 137, Issue 140<br />
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