[gmx-users] rerun problem

Maira d'Alessandro m.dalessandro at caspur.it
Fri Nov 7 14:22:00 CET 2003


Hallo!!!
tank you to everybody.
I succeded in the rerun calculation!!!!
many greatings

-- 
Maira D'Alessandro   
e-mail : m.dalessandro at caspur.it  
  
Post-Doc researcher   
University of Rome "Tor Vergata"    
Dep. of Chemical Science and Technology  
Viale della Ricerca Scientifica, 00133 Roma   
tel 0039(0)672594905


Quoting Anton Feenstra <feenstra at chem.vu.nl>:

> Maira d'Alessandro wrote:
> 
> > yes, the parameters in the mdp are exactly the same except for the changes
> I 
> > reported in my first mail.
> > other suggestions?
> 
> Yes, check for certaintiy with gmxcheck -s1 old.tpr -s2 new.tpr | more
> as David suggested!
> 
> 
> -- 
> Groetjes,
> 
> Anton
>   _____________ _______________________________________________________
> |             |                                                       |
> |  _   _  ___,| K. Anton Feenstra                                     |
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> | \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
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