Re: [AMBER] unable to recognize Chlorine atom even after defining in lib and frcmod file

From: case <>
Date: Thu, 26 Dec 2013 09:48:49 -0500

On Thu, Dec 26, 2013, onetwo wrote:
> I have a protein with bound substrate which is phenyl ring with two
> chlorines attached to it. Chlorine have atom name: CLAM and CLAN
> FATAL: Atom .R.A does not have a type.

This is a very odd error; is it *exactly* what was printed? Usually there
would be numbers in addition to letters in such an error message. What
information is found before and after this message?

It's not obvious that this has anything to do with the chlorine atoms. Use
the "desc" command to examine your structure. Break the structure into
pieces, such as the ligand by itself, and see if things work.

If you can't figure it out, please post files for a small example that
illustrates the problem.


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Received on Thu Dec 26 2013 - 07:00:04 PST
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