[gmx-developers] atom types case sensitive

[David van der Spoel]

On 5/11/10 6:23 PM, Berk Hess wrote:
> Hi,
>
> I have made the atom type names case sensitive, because a proper port
> of the Amber force fields requires this.
> I had to modify the ions.itp file of oplsaa, because there was a case
> mismatch.
>
> If someone knows if case sensitivity for atom types (not atom names) could
> cause any issues, please tell me.
>
> Thanks,
>
> Berk
>
>    
This is a strange Amber quirk I guess. Do they use this to distinguis 
C-alpha and Calcium?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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