On Tue, Oct 15, 2002, Aldo Jongejan wrote:
>
> DIHE
> DH5-DCR-DNA-DCW 1 0.0 0. 2.
Amber atom types must be one or two characters long, no more.
> It should offcourse be relatively simple to build a kind of
> 'shadow' file for all the atomtypes, by just copying the .dat file
> and add 'D' (for dummy). But probably, somewhere you just exceed
> the space given to a certain variable and it will fail :-)
Yes, it would be nice if Amber had allowed more than two characters for
this, but that would both require a lot of changes, and would destroy
backwards compatibility. So you have to make up dummy names with only
two characters.
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Oct 15 2002 - 08:25:41 PDT
