[gmx-users] gmx-users] Atoms Exploded

Anton Feenstra feenstra at chem.vu.nl
Fri Sep 12 08:56:08 CEST 2003


Albert Sun wrote:
> Dear Users,
> When I simulated a simple 9 atoms system, simulation (mdrun) was completed,  but the .trr  picture show that atoms disappeared suddenly and can not see anything from  the first frame.
>  
> Appreciate if you could advise me how to modify (.mdp or .top or other files) so that I can  see the picture from the first frame?

I don't know what you mean with '.trr picture'. What program(s) did you
use to look at the first frame? Possible options would include ngmx,
trjconv, vmd (not a Gromacs program).


-- 
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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