AMBER Archive (2009)

Subject: Re: Re: [AMBER] ambpdb is changing atom names, a feature or bug?

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sat Jan 10 2009 - 10:02:53 CST

On Sat, Jan 10, 2009, Ye Mei wrote:

> I am using Ambertools 1.2 with all patched applied and this also happens
> to me. BTW, the compilation of Ambertools 1.2 successfully ended with
> "Completed installation of AmberTools, version 1.1"

My bad: ambpdb is a part of Amber, not AmberTools. (Maybe we should
change this.)

Anyway, until I get a bugfix put together, just search for "H3" in
ambpdb.f (around line 561) and change 2H to 3H three lines below that.

...thanks for the report...dac

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