[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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