AMBER Archive (2003)

Subject: Re: pol_h

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 03 2003 - 11:26:41 CDT

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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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