[gmx-users] gmx-users] Atoms Exploded

Albert Sun albert_sun9 at yahoo.com
Sat Sep 20 21:10:02 CEST 2003


Hi, Dear Anton,
Atoms exploded problem still remains,  when I view  .trr  file by VMD, all atoms suddenly disappear.
I  tried ngmx, it had error:  float exception. 
I tried trjconv -dump, it showed warning: "no output, trajectory ended at 3"  
 
could you give me more hints ?   
 
Thanks!

Anton Feenstra <feenstra at chem.vu.nl> wrote:
Albert Sun wrote:
> Dear Anton
> I used VMD to view the .trr file, my problem was :
> I first loaded .gro fiel, it was OK to see the atoms clearly, then when I loaded the .trr file, all the picture of atoms disappeared immediately.
> 
> What is the cauese?

Have you tried ngmx, or trjconv -dump ?

-- 
Groetjes,

Anton
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" |
| | (Red Hot Chili Peppers) |
|_____________|_______________________________________________________|


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