[gmx-users] rerun problem

Anton Feenstra feenstra at chem.vu.nl
Fri Nov 7 13:31:01 CET 2003


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                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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