[gmx-users] The WARNING

David van der Spoel spoel at xray.bmc.uu.se
Thu Aug 21 08:49:03 CEST 2008

Chih-Ying Lin wrote:
> HI
> WARNING: masses will be determined based on residue and atom names,
>          this can deviate from the real mass of the atom type
> Is this warning serious?
> Could any one tell me how to fix the warning?
use a tpr file.

> I see nothing wrong with my .top and my .gro file.
> Thank you
> Lin
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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