On Tue, Jun 03, 2003, Giulio Rastelli wrote:
>
> In the pol_h program, what is the pqr file required as input? If I am
> correct, it is not referenced in the manual (amber7).
pqr files can be created with ambpdb. Thanks for pointing out the problems
with the manual: we'll get that fixed for the next release.
[What is really needed is for someone to step to the plate and merge pol_h
and gwh into protonate.....]
...regards...dac
--
==================================================================
David A. Case | e-mail: case.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 Jun 03 2003 - 17:53:01 PDT