On Wed, May 22, 2002, Matthew Lee wrote:
> I am interested in getting Brookhaven PDB format from my restart file.
> According to the AMBER7 documentation, this should be possible with
> the -aatm flag of ambpdb.
No, Brookhaven PDB format is the default. Setting "-aatm" asks for
Amber atom names, which are *not* those used by Brookhaven. Using this
flag is rarely necessary, since Amber reads in Brookhaven atom names and
converts them; but there may be programs out there which would benefit
from this flag.
> However, it seems that the -aatm flag wipes
> out atom types altogether.
You are correct. I have posted a bugfix (bugfix.14) on the Amber Web site.
Thanks for reporting this problem.
...regards...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
==================================================================
Received on Wed May 22 2002 - 14:09:32 PDT
