[gmx-users] could not write energies: Invalid argument
Anton Feenstra
feenstra at chem.vu.nl
Tue Dec 23 08:15:07 CET 2003
Albert Sun wrote:
> Dear USERS,
>
> I met two problems with messages:
>
> 1) Fatal error: could not write energies: Invalid argument
? Tell me more ?
> 2) Warning: pressure scaling more than 1%, mu: 1 1 1.01293
> I belived this could be due to tau_p was too small, but it did not help after increase tau_p to 5.0.
Badly equilibrated system? Try (more) em, try md without p-coupl first,
check your density, check if system doesn't heat up (you have no t-coupl!)
--
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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