[gmx-users] gmxcheck error!!!

[Anton Feenstra]

nanyu101 wrote:
> Dear gmx_users,
>   I have tried to equilibrate lipid bilayer dppc128.pdb.The results listed as follows:
> 
> Steepest Descents converged to 250 in 1399 steps
>   Potential Energy  = -2.76143e+05
> Maximum force:  1.24819e+02
[...]
> Step 6567, time 13.134 (ps)  LINCS WARNING
[...]
> ./f: line 4: 32197 Segmentation fault      mdrun -v -deffnm test
[...]
> Atoms outside box ( 6.4184 6.4435 6.5965 ):
> (These may occur often and are normally not a problem)
[...]
> I don't know what had happen.
> Any comments are appreciated!!!

What do you want to know? Your em went fine, as is indicated by
the fact that you succeeded in running 13ps of md. Something
went wrong in your md, but from what you tell, I couldn't even
guess. The output of gmxcheck you quote are self-explaning.


-- 
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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