AMBER Archive (2005)

Subject: Re: AMBER: atom type question

From: opitz_at_che.udel.edu
Date: Mon Jun 13 2005 - 15:46:18 CDT

('binary' encoding is not supported, stored as-is) That is the exact problem! I will contact my cluster administrator and
see if he can install the bugfix.
Out of curiosity, would changing the atom type definitions from gaff to
parm99 solve the problem also, or would there be reason that make this
path unsound. Again, out of curiosity I would like to know.

thanks!

==============Original message text===============
On Mon, 13 Jun 2005 16:05:44 EDT "David A. Case" wrote:

On Mon, Jun 13, 2005, opitz_at_che.udel.edu wrote:

> "bad atom type: c3"

What version of Amber are you using? This sounds like what one would get with
Amber 7 if bugfix.7 had not been applied. (It arises from the part of the
code that assigns parameters for gbsa=1). If you are running unpatched Amber
7, you will need to apply that bugfix. Otherwise, please post your actual
input files for minimization; I don't see why you should be getting this sort
of error.

...dac

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