[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 |
|( | )| | | 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" |
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