[gmx-developers] xdr library
Anton Feenstra
feenstra at few.vu.nl
Fri Aug 28 09:43:41 CEST 2009
marcos wrote:
> Hi,
>
> I want to report that using the 1.1b library, one needs to set the
> prec=10000.0 in write_xtc to obtain 3 decimals, when this precision is
> expected using prec=1000.0. At least this is how it use to work when
> linking against gromacs 3.3 libraries.
Could this be a nm / Ångstrom thing?
--
Groetjes,
Anton
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | IBIVU/Bioinformatics - Free University Amsterdam |
|( | )| | | De Boelelaan 1083A - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P136 |
| | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/ |
| | "Everybody's Good Enough For Some Change" (LIVE) |
|_____________|_______________________________________________________|
More information about the gromacs.org_gmx-developers
mailing list