Thank you, I understood where the correspondence has to be in these files. It works now.
Olena
________________________________________
From: case [case.biomaps.rutgers.edu]
Sent: 01 February 2012 03:33
To: AMBER Mailing List
Subject: Re: [AMBER] makeDIST_RST command problem
On Tue, Jan 31, 2012, Olena Dobrovolska wrote:
> Thanks. I attached the files.
Yes, but you said (in your previous email) that residue 26 was an ALA, and
had an atom named HB1. But in the file you attached, residue 26 is CYS
and does *not* have any atom named HB1 (nor should it, if it is CYS.)
Somehow, there is a disconnect between your pdb file and your restraint file.
Try starting with very simple PDB files, and very simple restraint files, and
building complexity slowly once you understand what the program is doing.
....dac
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Received on Thu Feb 02 2012 - 08:30:02 PST
