[gmx-users] 回复： tarce file loading error

[黯烨倾尘]

Thank you. I didn't change my file extension. I could get the ".xvg" file from the ".trr" file, but I couldn't visualize the ".trr" file in VMD. It's weird. I checked the file, it seemed normal.Checking file traj.trr trn version: GMX_trn_file (single precision) Reading frame       0 time    0.000    # Atoms  12444 Last frame         10 time    0.100    Item        #frames Timestep (ps) Step            11    0.01 Time            11    0.01 Lambda          11    0.01 Coords          11    0.01 Velocities      11    0.01 Forces          11    0.01 Box             11    0.01


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------------------ 原始邮件 ------------------
发件人: "Mark Abraham";<mark.j.abraham at gmail.com>;
发送时间: 2015年12月10日(星期四) 下午2:02
收件人: "gmx-users"<gmx-users at gromacs.org>; 

主题: Re: [gmx-users] tarce file loading error



Hi,

VMD's probably right. It sounds like you've changed the file extension from
what mdrun wrote. What does gmx check have to say about that file?

Mark

On Thu, Dec 10, 2015 at 12:40 PM 黯烨倾尘 <490813430 at qq.com> wrote:

> Hello, everyone.
> There is something wrong with my trace file. My test terminated normally,
> but everytime I loaded my tarce file to the relevant configuration file in
> VMD, it told me "error reading timestep， file does not match format". I
> changed my simulation system, but it was not helpful. I'm confused about
> how to solve this problem. Could you help me to check my trace file? Thank
> you!
> Here are the files:http://pan.baidu.com/s/1dDOFkat
>
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