AMBER Archive (2007)

Subject: Re: AMBER: Prepin error (?) in xleap

From: David A. Case (case_at_scripps.edu)
Date: Thu Aug 23 2007 - 19:28:29 CDT


On Thu, Aug 23, 2007, Lili Peng wrote:
>
> I'm running into what I think is an error message in xleap when I try to
> load my prepin file.
>
> "this is a remark line atom OE1 type O.co2: type must be 1 or 2 characters"
>
> What does this mean? Is there something wrong with my prepin file?

Probably. How did you create the prepin file? Did you look at it to see
if there is an atom called "OE1" with a type "O.co2"? As the message says,
Amber and gaff atom types are at most two characters long.

....dac

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